Cyclohexylsulfamic acid--1-benzyl-3-(1-methylpyrrolidin-2-yl)-1H-indole (1/1)
Basic information
- CAS
20465-89-8- Standard SMILES
C[NH+]1CCCC1c1cn(Cc2ccccc2)c2ccccc12.O=S(=O)([O-])NC1CCCCC1- InChIKey
ISPVXYGNERQUGG-UHFFFAOYSA-N- Molecular formula
- C26H35N3O3S
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.23991316
Names & identifiers
- Preferred name
- Cyclohexylsulfamic acid--1-benzyl-3-(1-methylpyrrolidin-2-yl)-1H-indole (1/1)
- IUPAC
- 1-benzyl-3-(1-methylpyrrolidin-1-ium-2-yl)indole;N-cyclohexylsulfamate
Names & synonyms
20465-89-8RefChem:1082640DTXCID901371037Cyclohexylsulfamic acid--1-benzyl-3-(1-methylpyrrolidin-2-yl)-1H-indole (1/1)DTXSID109426441-Benzyl-3-(1-methyl-2-pyrrolidinyl)indole cyclohexanesulfamateINDOLE, 1-BENZYL-3-(1-METHYL-2-PYRROLIDINYL)-, MONO(CYCLOHEXANESULFAMATE)
Database identifiers
- CAS
20465-89-8- PubChem CID
- 30168
Properties
Computed structural properties
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 550
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…