3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethanoyl)piperazin-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile

Systemtic Name: 3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethanoyl)piperazin-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 3-[4-(2-oxo-2-pyrrolidin-1-yl-acetyl)piperazin-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-[1,2-dioxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-pyrrolidino-acetyl)piperazino]-1-phenyl-2-pyrindan-2-ium-4-carbonitrile Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCC4=C3C#N)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCC4=C3C#N)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c26-17-21-19-9-6-10-20(19)22(18-7-2-1-3-8-18)27-23(21)28-13-15-30(16-14-28)25(32)24(31)29-11-4-5-12-29/h1-3,7-8H,4-6,9-16H2/p+1