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

Systemtic Name: 1-(2-methylpropyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-isobutyl-2-pyrindan-2-ium-4-carbonitrile Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H28N4O/c1-17(2)15-22-20-10-6-9-19(20)21(16-25)23(26-22)27-11-13-28(14-12-27)24(29)18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-15H2,1-2H3/p+1