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

Systemtic Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 1-isobutyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 1-isobutyl-3-(4-isobutyrylpiperazino)-2-pyrindan-2-ium-4-carbonitrile Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O/c1-14(2)12-19-17-7-5-6-16(17)18(13-22)20(23-19)24-8-10-25(11-9-24)21(26)15(3)4/h14-15H,5-12H2,1-4H3/p+1