ethyl 7-azanyl-1-oxidanidyl-4-oxidanylidene-1-pentyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-azanyl-1-oxidanidyl-4-oxidanylidene-1-pentyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-amino-1-oxido-4-oxo-1-pentyl-quinolin-1-ium-3-carboxylate CAS Name: 7-amino-1-oxido-4-oxo-1-pentyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-1-oxido-4-oxo-1-pentylquinolin-1-ium-3-carboxylate Traditional Name: 7-amino-1-amyl-4-keto-1-oxido-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C=C(C(=O)C2=C1C=C(C=C2)N)C(=O)OCC)[O-]

Isomeric SMILES

CCCCC[N+]1(C=C(C(=O)C2=C1C=C(C=C2)N)C(=O)OCC)[O-]

InChI

InChI=1S/C17H22N2O4/c1-3-5-6-9-19(22)11-14(17(21)23-4-2)16(20)13-8-7-12(18)10-15(13)19/h7-8,10-11H,3-6,9,18H2,1-2H3