2-chloranyl-N-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-N-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-methyl-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 2-chloro-N-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-N-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C17H20ClN4O3S+ MolecularWeight: 395.8837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O3S/c1-19-17(23)14-12-13(5-6-15(14)18)26(24,25)22-10-8-21(9-11-22)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H,19,23)/p+1