3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole; N-cyclohexylsulfamate

Systemtic Name: 3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole; N-cyclohexylsulfamate Openeye Name: 3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole; N-cyclohexylsulfamate CAS Name: 3-(1-butyl-2-pyrrolidin-1-iumyl)-1H-indole; N-cyclohexylsulfamate IUPAC Name: 3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole; N-cyclohexylsulfamate Traditional Name: 3-(1-butylpyrrolidin-1-ium-2-yl)-1H-indole; N-cyclohexylsulfamate Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCCC1C2=CNC3=CC=CC=C32.C1CCC(CC1)NS(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH+]1CCCC1C2=CNC3=CC=CC=C32.C1CCC(CC1)NS(=O)(=O)[O-]

InChI

InChI=1S/C16H22N2.C6H13NO3S/c1-2-3-10-18-11-6-9-16(18)14-12-17-15-8-5-4-7-13(14)15;8-11(9,10)7-6-4-2-1-3-5-6/h4-5,7-8,12,16-17H,2-3,6,9-11H2,1H3;6-7H,1-5H2,(H,8,9,10)