ethyl 2-azanyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-5-oxo-4-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-5-keto-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C[NH+]=CC=C3)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C[NH+]=CC=C3)C(=O)CCC2)N

InChI

InChI=1S/C17H18N2O4/c1-2-22-17(21)15-13(10-5-4-8-19-9-10)14-11(20)6-3-7-12(14)23-16(15)18/h4-5,8-9,13H,2-3,6-7,18H2,1H3/p+1