ethyl 4-(4-azanylpyridin-1-ium-1-yl)-2-oxidanylidene-1H-quinoline-3-carboxylate chloride

Systemtic Name: ethyl 4-(4-azanylpyridin-1-ium-1-yl)-2-oxidanylidene-1H-quinoline-3-carboxylate chloride Openeye Name: ethyl 4-(4-aminopyridin-1-ium-1-yl)-2-oxo-1H-quinoline-3-carboxylate chloride CAS Name: 4-(4-amino-1-pyridin-1-iumyl)-2-oxo-1H-quinoline-3-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-(4-aminopyridin-1-ium-1-yl)-2-oxo-1H-quinoline-3-carboxylate chloride Traditional Name: 4-(4-aminopyridin-1-ium-1-yl)-2-keto-1H-quinoline-3-carboxylic acid ethyl ester chloride Formula: C17H16ClN3O3 MolecularWeight: 345.78024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)[N+]3=CC=C(C=C3)N.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)[N+]3=CC=C(C=C3)N.[Cl-]

InChI

InChI=1S/C17H15N3O3.ClH/c1-2-23-17(22)14-15(20-9-7-11(18)8-10-20)12-5-3-4-6-13(12)19-16(14)21;/h3-10,18H,2H2,1H3,(H,19,21,22);1H