N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-methyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-methyl-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20N4O3S/c1-18-17(22)14-5-4-6-15(13-14)25(23,24)21-11-9-20(10-12-21)16-7-2-3-8-19-16/h2-8,13H,9-12H2,1H3,(H,18,22)/p+1