1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C18H21N3O4S/c1-15-4-6-17(7-5-15)26(24,25)21-11-9-20(10-12-21)18(23)14-19-8-2-3-16(22)13-19/h2-8,13H,9-12,14H2,1H3/p+1