3,4-dimethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-16-6-7-18(15-17(16)2)20(25)22-9-14-28(26,27)24-12-10-23(11-13-24)19-5-3-4-8-21-19/h3-8,15H,9-14H2,1-2H3,(H,22,25)/p+1