N-[3-(azepan-1-ium-1-yl)propyl]-4-[ethylsulfonyl(methyl)amino]benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[ethylsulfonyl(methyl)amino]benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[ethylsulfonyl(methyl)amino]benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-[ethylsulfonyl(methyl)amino]benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[ethylsulfonyl(methyl)amino]benzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[esyl(methyl)amino]benzamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C)C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

CCS(=O)(=O)N(C)C1=CC=C(C=C1)C(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C19H31N3O3S/c1-3-26(24,25)21(2)18-11-9-17(10-12-18)19(23)20-13-8-16-22-14-6-4-5-7-15-22/h9-12H,3-8,13-16H2,1-2H3,(H,20,23)/p+1