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

Systemtic Name: 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-furoyl)piperazino]-1-isobutyl-2-pyrindan-2-ium-4-carbonitrile Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N

Isomeric SMILES

CC(C)CC1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C4=CC=CO4)C#N

InChI

InChI=1S/C22H26N4O2/c1-15(2)13-19-17-6-3-5-16(17)18(14-23)21(24-19)25-8-10-26(11-9-25)22(27)20-7-4-12-28-20/h4,7,12,15H,3,5-6,8-11,13H2,1-2H3/p+1