(2R,3S)-5-azanylidene-4-cyano-3-(2-methylphenyl)-2-pyridin-1-ium-1-yl-pent-4-enamide

Systemtic Name: (2R,3S)-5-azanylidene-4-cyano-3-(2-methylphenyl)-2-pyridin-1-ium-1-yl-pent-4-enamide Openeye Name: (2R,3S)-4-cyano-5-imino-3-(o-tolyl)-2-pyridin-1-ium-1-yl-pent-4-enamide CAS Name: (2R,3S)-4-cyano-5-imino-3-(2-methylphenyl)-2-(1-pyridin-1-iumyl)-4-pentenamide IUPAC Name: (2R,3S)-4-cyano-5-imino-3-(2-methylphenyl)-2-pyridin-1-ium-1-ylpent-4-enamide Traditional Name: (2R,3S)-4-cyano-5-imino-3-(o-tolyl)-2-pyridin-1-ium-1-yl-pent-4-enamide Formula: C18H17N4O+ MolecularWeight: 305.35378

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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/h2-10,16-17,19H,1H3,(H-,21,23)/p+1/t16-,17-/m1/s1