2-[4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]piperazin-1-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]piperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-cyano-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(4-cyano-1-isobutyl-2-pyrindan-3-yl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=C2CCCC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H35N5O/c1-20(2)17-25-23-10-6-9-22(23)24(18-28)27(30-25)32-15-13-31(14-16-32)19-26(33)29-12-11-21-7-4-3-5-8-21/h3-5,7-8,20H,6,9-17,19H2,1-2H3,(H,29,33)/p+1