2-[4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]piperazin-1-ium-1-yl]-N-phenyl-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-phenyl-ethanamide Openeye Name: 2-[4-(4-cyano-1-isobutyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[4-cyano-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-cyano-1-isobutyl-2-pyrindan-3-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=C2CCCC2=C(C(=N1)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H31N5O/c1-18(2)15-23-21-10-6-9-20(21)22(16-26)25(28-23)30-13-11-29(12-14-30)17-24(31)27-19-7-4-3-5-8-19/h3-5,7-8,18H,6,9-15,17H2,1-2H3,(H,27,31)/p+1