[2-cyano-2-[(2R,3R,4S)-5-cyano-2-methyl-2-oxidanyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]ethenylidene]azanide

Systemtic Name: [2-cyano-2-[(2R,3R,4S)-5-cyano-2-methyl-2-oxidanyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]ethenylidene]azanide Openeye Name: [2-cyano-2-[(2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]ethenylidene]azanide CAS Name: [2-cyano-2-[(2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-4-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-yl]ethenylidene]azanide IUPAC Name: [2-cyano-2-[(2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]ethenylidene]azanide Traditional Name: [2-cyano-2-[(2R,3R,4S)-5-cyano-2-hydroxy-2-methyl-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-yl]ethenylidene]azanide Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C(N1)C(=C=[N-])C#N)C#N)C2=CC=CC=C2)[N+]3=CC=CC=C3)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](C(=C(N1)C(=C=[N-])C#N)C#N)C2=CC=CC=C2)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C21H17N5O/c1-21(27)20(26-10-6-3-7-11-26)18(15-8-4-2-5-9-15)17(14-24)19(25-21)16(12-22)13-23/h2-11,18,20,25,27H,1H3/t18-,20+,21+/m0/s1