N-[4-[3-(1-butylazepan-1-ium-1-yl)propyl]phenyl]methanesulfonamide bromide

Systemtic Name: N-[4-[3-(1-butylazepan-1-ium-1-yl)propyl]phenyl]methanesulfonamide bromide Openeye Name: N-[4-[3-(1-butylazepan-1-ium-1-yl)propyl]phenyl]methanesulfonamide bromide CAS Name: N-[4-[3-(1-butyl-1-azepan-1-iumyl)propyl]phenyl]methanesulfonamide bromide IUPAC Name: N-[4-[3-(1-butylazepan-1-ium-1-yl)propyl]phenyl]methanesulfonamide bromide Traditional Name: N-[4-[3-(1-butylazepan-1-ium-1-yl)propyl]phenyl]methanesulfonamide bromide Formula: C20H35BrN2O2S MolecularWeight: 447.4731

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCCCC1)CCCC2=CC=C(C=C2)NS(=O)(=O)C.[Br-]

Isomeric SMILES

CCCC[N+]1(CCCCCC1)CCCC2=CC=C(C=C2)NS(=O)(=O)C.[Br-]

InChI

InChI=1S/C20H35N2O2S.BrH/c1-3-4-15-22(16-7-5-6-8-17-22)18-9-10-19-11-13-20(14-12-19)21-25(2,23)24;/h11-14,21H,3-10,15-18H2,1-2H3;1H/q+1;/p-1