2-(3-methylphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide

Systemtic Name: 2-(3-methylphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-(m-tolyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide CAS Name: 2-(3-methylphenyl)-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-(3-methylphenyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(m-tolyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]acetamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O3S/c1-17-5-4-6-18(15-17)16-20(25)22-9-14-28(26,27)24-12-10-23(11-13-24)19-7-2-3-8-21-19/h2-8,15H,9-14,16H2,1H3,(H,22,25)/p+1