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

Systemtic Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 1-isobutyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 1-isobutyl-3-(4-isovalerylpiperazino)-2-pyrindan-2-ium-4-carbonitrile Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-15(2)12-20-18-7-5-6-17(18)19(14-23)22(24-20)26-10-8-25(9-11-26)21(27)13-16(3)4/h15-16H,5-13H2,1-4H3/p+1