HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

(2-Benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium

HCID 34094
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C[N+](C)(CC1CCCCC1(C#N)OC(=O)c1ccccc1)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](C)(C)CC3CCCCC3(C#N)OC(=O)c3ccccc3)cc2)cc1
InChIKey
QEKUAOKFKUMWKI-UHFFFAOYSA-N
Molecular formula
C50H56N4O6+2
Average molar mass
809 g/mol
Monoisotopic mass
808.41998552

Names & identifiers

Preferred name
(2-Benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium
IUPAC
(2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium

Names & synonyms

DTXSID301384210(2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium

Database identifiers

PubChem CID
34094
DTXSID
DTXSID301384210

Properties

Computed structural properties

XLogP
8.7
Topological polar surface area
134 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
15
Heavy atoms
60
Formal charge
2
Complexity
1,480

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes