N-cyclohexylsulfamate; 3-(1-methylpyrrolidin-1-ium-2-yl)-1-(phenylmethyl)indole

Systemtic Name: N-cyclohexylsulfamate; 3-(1-methylpyrrolidin-1-ium-2-yl)-1-(phenylmethyl)indole Openeye Name: 1-benzyl-3-(1-methylpyrrolidin-1-ium-2-yl)indole; N-cyclohexylsulfamate CAS Name: N-cyclohexylsulfamate; 3-(1-methyl-2-pyrrolidin-1-iumyl)-1-(phenylmethyl)indole IUPAC Name: 1-benzyl-3-(1-methylpyrrolidin-1-ium-2-yl)indole; N-cyclohexylsulfamate Traditional Name: 1-benzyl-3-(1-methylpyrrolidin-1-ium-2-yl)indole; N-cyclohexylsulfamate Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4.C1CCC(CC1)NS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1CCCC1C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4.C1CCC(CC1)NS(=O)(=O)[O-]

InChI

InChI=1S/C20H22N2.C6H13NO3S/c1-21-13-7-12-19(21)18-15-22(14-16-8-3-2-4-9-16)20-11-6-5-10-17(18)20;8-11(9,10)7-6-4-2-1-3-5-6/h2-6,8-11,15,19H,7,12-14H2,1H3;6-7H,1-5H2,(H,8,9,10)