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

Systemtic Name: 1-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylethanoyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 1-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 1-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 1-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylacetyl)piperazino]-2-pyrindan-2-ium-4-carbonitrile Formula: C25H31N5O+2 MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCC4=C3C#N)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCC4=C3C#N)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O/c26-17-22-20-9-6-10-21(20)24(19-7-2-1-3-8-19)27-25(22)30-15-13-29(14-16-30)23(31)18-28-11-4-5-12-28/h1-3,7-8H,4-6,9-16,18H2/p+2