(3R,4S)-6-oxidanyl-2-oxidanylidene-1-phenethyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (3R,4S)-6-oxidanyl-2-oxidanylidene-1-phenethyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (3R,4S)-6-hydroxy-2-oxo-1-phenethyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile CAS Name: (3R,4S)-6-hydroxy-2-oxo-1-phenethyl-4-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (3R,4S)-6-hydroxy-2-oxo-1-phenethyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (3R,4S)-6-hydroxy-2-keto-1-phenethyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile Formula: C25H22N3O2+ MolecularWeight: 396.46108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(C(C(=C2O)C#N)C3=CC=CC=C3)[N+]4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)[C@@H]([C@H](C(=C2O)C#N)C3=CC=CC=C3)[N+]4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2/c26-18-21-22(20-12-6-2-7-13-20)23(27-15-8-3-9-16-27)25(30)28(24(21)29)17-14-19-10-4-1-5-11-19/h1-13,15-16,22-23H,14,17H2/p+1/t22-,23+/m0/s1