3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

Systemtic Name: 3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Openeye Name: 3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile CAS Name: 3-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile IUPAC Name: 3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-1-phenyl-2-pyrindan-4-carbonitrile Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC(=C4CCCC4=C3C#N)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC(=C4CCCC4=C3C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O/c27-18-23-21-10-7-11-22(21)25(20-8-3-1-4-9-20)28-26(23)31-16-14-29(15-17-31)19-24(32)30-12-5-2-6-13-30/h1,3-4,8-9H,2,5-7,10-17,19H2/p+1