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

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 1-isopropyl-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-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 1-isopropyl-3-(4-tosylpiperazino)-2-pyrindan-2-ium-4-carbonitrile Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-16(2)22-20-6-4-5-19(20)21(15-24)23(25-22)26-11-13-27(14-12-26)30(28,29)18-9-7-17(3)8-10-18/h7-10,16H,4-6,11-14H2,1-3H3/p+1