Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate
Basic information
- CAS
20465-88-7- Standard SMILES
CCCC[NH+]1CCCC1c1c[nH]c2ccccc12.O=S(=O)([O-])NC1CCCCC1- InChIKey
XHZUSMBAWAVCRE-UHFFFAOYSA-N- Molecular formula
- C22H35N3O3S
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.23991316
Names & identifiers
- Preferred name
- Indole, 3-(1-butyl-2-pyrrolidinyl)-, cyclohexanesulfamate
- IUPAC
- 3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole;N-cyclohexylsulfamate
Names & synonyms
20465-88-7INDOLE, 3-(1-BUTYL-2-PYRROLIDINYL)-, CYCLOHEXANESULFAMATERefChem:10873153-(1-Butyl-2-pyrrolidinyl)indole cyclohexanesulfamate
Database identifiers
- CAS
20465-88-7- PubChem CID
- 30166
Properties
Computed structural properties
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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