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

Systemtic Name: 3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)piperazin-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 3-[4-(2-morpholino-2-oxo-acetyl)piperazin-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[4-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-piperazinyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-keto-2-morpholino-acetyl)piperazino]-1-phenyl-2-pyrindan-2-ium-4-carbonitrile Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=[NH+]C(=C2C1)C3=CC=CC=C3)N4CCN(CC4)C(=O)C(=O)N5CCOCC5)C#N

Isomeric SMILES

C1CC2=C(C(=[NH+]C(=C2C1)C3=CC=CC=C3)N4CCN(CC4)C(=O)C(=O)N5CCOCC5)C#N

InChI

InChI=1S/C25H27N5O3/c26-17-21-19-7-4-8-20(19)22(18-5-2-1-3-6-18)27-23(21)28-9-11-29(12-10-28)24(31)25(32)30-13-15-33-16-14-30/h1-3,5-6H,4,7-16H2/p+1