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

Systemtic Name: 2-(2-methylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-(2-methylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide CAS Name: 2-(2-methylphenoxy)-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-(2-methylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(2-methylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]acetamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O4S/c1-17-6-2-3-7-18(17)28-16-20(25)22-10-15-29(26,27)24-13-11-23(12-14-24)19-8-4-5-9-21-19/h2-9H,10-16H2,1H3,(H,22,25)/p+1