4-[2-azanyl-3-cyano-7-methyl-5-oxidanylidene-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridin-4-yl]phenolate

Systemtic Name: 4-[2-azanyl-3-cyano-7-methyl-5-oxidanylidene-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridin-4-yl]phenolate Openeye Name: 4-[2-amino-3-cyano-7-methyl-5-oxo-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridin-4-yl]phenolate CAS Name: 4-[2-amino-3-cyano-7-methyl-5-oxo-6-(3-pyridin-1-iumylmethyl)-4H-pyrano[3,2-c]pyridin-4-yl]phenolate IUPAC Name: 4-[2-amino-3-cyano-7-methyl-5-oxo-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridin-4-yl]phenolate Traditional Name: 4-[2-amino-3-cyano-5-keto-7-methyl-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridin-4-yl]phenolate Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[O-])C(=O)N1CC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[O-])C(=O)N1CC4=C[NH+]=CC=C4

InChI

InChI=1S/C22H18N4O3/c1-13-9-18-20(22(28)26(13)12-14-3-2-8-25-11-14)19(17(10-23)21(24)29-18)15-4-6-16(27)7-5-15/h2-9,11,19,27H,12,24H2,1H3