2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-tosylpiperazino)ethanone Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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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=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N4O3S/c1-17-4-6-19(7-5-17)28(26,27)24-14-12-23(13-15-24)20(25)16-22-10-8-18(9-11-22)21(2)3/h4-11H,12-16H2,1-3H3/q+1