N-(2-methylphenyl)-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]methanesulfonamide

Systemtic Name: N-(2-methylphenyl)-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]methanesulfonamide Openeye Name: N-(o-tolyl)-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]methanesulfonamide CAS Name: N-(2-methylphenyl)-N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]methanesulfonamide IUPAC Name: N-(2-methylphenyl)-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]methanesulfonamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-N-(o-tolyl)methanesulfonamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C

InChI

InChI=1S/C19H24N4O3S/c1-16-7-3-4-8-17(16)23(27(2,25)26)15-19(24)22-13-11-21(12-14-22)18-9-5-6-10-20-18/h3-10H,11-15H2,1-2H3/p+1