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

Systemtic Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 1-isopropyl-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-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 3-(4-isobutyrylpiperazino)-1-isopropyl-2-pyrindan-2-ium-4-carbonitrile Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(C)C)C#N

Isomeric SMILES

CC(C)C1=C2CCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=O)C(C)C)C#N

InChI

InChI=1S/C20H28N4O/c1-13(2)18-16-7-5-6-15(16)17(12-21)19(22-18)23-8-10-24(11-9-23)20(25)14(3)4/h13-14H,5-11H2,1-4H3/p+1