(3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: (3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3R,4S)-5-cyano-4-(3,4-dichlorophenyl)-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C17H11Cl2N3O2 MolecularWeight: 360.19414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(=C(NC2=O)[O-])C#N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H]2[C@H](C(=C(NC2=O)[O-])C#N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H11Cl2N3O2/c18-12-5-4-10(8-13(12)19)14-11(9-20)16(23)21-17(24)15(14)22-6-2-1-3-7-22/h1-8,14-15H,(H-,21,23,24)/t14-,15+/m0/s1