(E)-2-(4-methylphenyl)-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]ethenesulfonamide

Systemtic Name: (E)-2-(4-methylphenyl)-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]ethenesulfonamide Openeye Name: (E)-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]-2-(p-tolyl)ethenesulfonamide CAS Name: (E)-2-(4-methylphenyl)-N-[3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propyl]ethenesulfonamide IUPAC Name: (E)-2-(4-methylphenyl)-N-[3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]ethenesulfonamide Traditional Name: (E)-N-[3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)propyl]-2-(p-tolyl)ethenesulfonamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C21H26N4O3S/c1-18-2-4-19(5-3-18)9-17-29(27,28)23-12-8-21(26)25-15-13-24(14-16-25)20-6-10-22-11-7-20/h2-7,9-11,17,23H,8,12-16H2,1H3/p+1/b17-9+