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

Systemtic Name: 3-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3-methoxy-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3-methoxy-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4O4S/c1-27-17-6-4-5-16(15-17)19(24)21-9-14-28(25,26)23-12-10-22(11-13-23)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)/p+1