(3R,4S)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate

Systemtic Name: (3R,4S)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate Openeye Name: (3R,4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate CAS Name: (3R,4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-1-phenethyl-3-(1-pyridin-1-iumyl)-3,4-dihydropyridin-6-olate IUPAC Name: (3R,4S)-4-(4-chlorophenyl)-5-cyano-2-oxo-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate Traditional Name: (3R,4S)-4-(4-chlorophenyl)-5-cyano-2-keto-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate Formula: C25H20ClN3O2 MolecularWeight: 429.8982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(C(C(=C2[O-])C#N)C3=CC=C(C=C3)Cl)[N+]4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)[C@@H]([C@H](C(=C2[O-])C#N)C3=CC=C(C=C3)Cl)[N+]4=CC=CC=C4

InChI

InChI=1S/C25H20ClN3O2/c26-20-11-9-19(10-12-20)22-21(17-27)24(30)29(16-13-18-7-3-1-4-8-18)25(31)23(22)28-14-5-2-6-15-28/h1-12,14-15,22-23H,13,16H2/t22-,23+/m0/s1