1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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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)C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-15-5-6-18(16(2)12-15)29(27,28)24-10-8-23(9-11-24)19(25)14-22-7-3-4-17(13-22)20(21)26/h3-7,12-13H,8-11,14H2,1-2H3,(H-,21,26)/p+1