N-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: N-methyl-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: N-methyl-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-N-methyl-benzenesulfonamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c1-20(26(24,25)16-7-3-2-4-8-16)15-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10H,11-15H2,1H3/p+1