3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 1-isobutyl-3-[4-(p-tolylsulfonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 1-isobutyl-3-(4-tosylpiperazino)-2-pyrindan-2-ium-4-carbonitrile Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCC4=C3C#N)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCC4=C3C#N)CC(C)C

InChI

InChI=1S/C24H30N4O2S/c1-17(2)15-23-21-6-4-5-20(21)22(16-25)24(26-23)27-11-13-28(14-12-27)31(29,30)19-9-7-18(3)8-10-19/h7-10,17H,4-6,11-15H2,1-3H3/p+1