1-[(8-methoxy-2-oxidanylidene-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(8-methoxy-2-oxidanylidene-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(8-methoxy-2-oxo-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(8-methoxy-2-oxo-1H-quinolin-4-yl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(8-methoxy-2-oxo-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-keto-8-methoxy-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC(=O)C=C2C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC2=C1NC(=O)C=C2C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-23-14-4-2-3-13-12(9-15(20)18-16(13)14)10-19-7-5-11(6-8-19)17(21)22/h2-4,9,11H,5-8,10H2,1H3,(H,18,20)(H,21,22)