diethyl 2-azanyl-6-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3,5-dicarboxylate

Systemtic Name: diethyl 2-azanyl-6-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3,5-dicarboxylate Openeye Name: diethyl 2-amino-6-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3,5-dicarboxylate CAS Name: 2-amino-6-methyl-4-(4-pyridin-1-iumyl)-4H-pyran-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-amino-6-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3,5-dicarboxylate Traditional Name: 2-amino-6-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3,5-dicarboxylic acid diethyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=[NH+]C=C2)C(=O)OCC)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=[NH+]C=C2)C(=O)OCC)N)C

InChI

InChI=1S/C17H20N2O5/c1-4-22-16(20)12-10(3)24-15(18)14(17(21)23-5-2)13(12)11-6-8-19-9-7-11/h6-9,13H,4-5,18H2,1-3H3/p+1