N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-methylphenyl)methanesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-methylphenyl)methanesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(p-tolyl)methanesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-methylphenyl)methanesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(p-tolyl)methanesulfonamide Formula: C17H29N2O2S+ MolecularWeight: 325.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C17H28N2O2S/c1-16-7-9-17(10-8-16)15-22(20,21)18-11-6-14-19-12-4-2-3-5-13-19/h7-10,18H,2-6,11-15H2,1H3/p+1