[(3S,4R)-5-azanyl-2-cyano-3-(2-methylphenyl)-5-oxidanylidene-4-pyridin-1-ium-1-yl-pent-1-enylidene]azanide

Systemtic Name: [(3S,4R)-5-azanyl-2-cyano-3-(2-methylphenyl)-5-oxidanylidene-4-pyridin-1-ium-1-yl-pent-1-enylidene]azanide Openeye Name: [(3S,4R)-5-amino-2-cyano-3-(o-tolyl)-5-oxo-4-pyridin-1-ium-1-yl-pent-1-enylidene]azanide CAS Name: [(3S,4R)-5-amino-2-cyano-3-(2-methylphenyl)-5-oxo-4-(1-pyridin-1-iumyl)pent-1-enylidene]azanide IUPAC Name: [(3S,4R)-5-amino-2-cyano-3-(2-methylphenyl)-5-oxo-4-pyridin-1-ium-1-ylpent-1-enylidene]azanide Traditional Name: [(3S,4R)-5-amino-2-cyano-5-keto-3-(o-tolyl)-4-pyridin-1-ium-1-yl-pent-1-enylidene]azanide Formula: C18H16N4O MolecularWeight: 304.34584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(C(=O)N)[N+]2=CC=CC=C2)C(=C=[N-])C#N

Isomeric SMILES

CC1=CC=CC=C1[C@H]([C@H](C(=O)N)[N+]2=CC=CC=C2)C(=C=[N-])C#N

InChI

InChI=1S/C18H16N4O/c1-13-7-3-4-8-15(13)16(14(11-19)12-20)17(18(21)23)22-9-5-2-6-10-22/h2-10,16-17H,1H3,(H2,21,23)/t16-,17-/m1/s1