ethyl 2-azanyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(1-methylpyridin-1-ium-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(1-methyl-3-pyridin-1-iumyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1-methylpyridin-1-ium-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-5-keto-4-(1-methylpyridin-1-ium-3-yl)-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C[N+](=CC=C3)C)C(=O)CC(C2)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C[N+](=CC=C3)C)C(=O)CC(C2)C4=CC=CC=C4)N

InChI

InChI=1S/C24H24N2O4/c1-3-29-24(28)22-20(16-10-7-11-26(2)14-16)21-18(27)12-17(13-19(21)30-23(22)25)15-8-5-4-6-9-15/h4-11,14,17,20H,3,12-13H2,1-2H3,(H-,25,28)/p+1