BW284C51

HCID 1338
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Basic information

Standard SMILES
C=CC[N+](C)(C)c1ccc(CCC(=O)CCc2ccc([N+](C)(C)CC=C)cc2)cc1
InChIKey
ZAEXMNKDGJNLTA-UHFFFAOYSA-N
Molecular formula
C27H38N2O+2
Average molar mass
406.6 g/mol
Monoisotopic mass
406.29841384

Names & identifiers

Preferred name
BW284C51
IUPAC
[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium

Names & synonyms

BW284c51BW 284 C 51(4-(5-(4-(dimethyl-prop-2-enylazaniumyl)phenyl)-3-oxopentyl)phenyl)-dimethyl-prop-2-enylazanium[4-[5-[4-(dimethyl-prop-2-enylazaniumyl)phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazaniumRefChem:917780BW-284-C-51CHEMBL1400204-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazaniumEBWCHEMBL464538BW284C51 cation
Show more names
Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), DibromideGTPL6600SCHEMBL7449688BDBM10624ZAEXMNKDGJNLTA-UHFFFAOYSA-NNCGC00247016-01Q270755941,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-one dibromide

Database identifiers

PubChem CID
1338
ChEMBL
CHEMBL140020、CHEMBL464538
Nikkaji
J395.953H

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
12
Heavy atoms
30

Related reactions

1 records
New reaction record

Linked notes

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