(4-azanylquinazolin-3-ium-2-yl)methyl 2-ethoxypyridine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 2-ethoxypyridine-3-carboxylate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C17H17N4O3+ MolecularWeight: 325.34188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

InChI

InChI=1S/C17H16N4O3/c1-2-23-16-12(7-5-9-19-16)17(22)24-10-14-20-13-8-4-3-6-11(13)15(18)21-14/h3-9H,2,10H2,1H3,(H2,18,20,21)/p+1