1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-4-yl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-keto-6,8-dimethyl-1H-quinolin-4-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=O)N2)C[NH+]3CCC(CC3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=O)N2)C[NH+]3CCC(CC3)C(=O)[O-])C

InChI

InChI=1S/C18H22N2O3/c1-11-7-12(2)17-15(8-11)14(9-16(21)19-17)10-20-5-3-13(4-6-20)18(22)23/h7-9,13H,3-6,10H2,1-2H3,(H,19,21)(H,22,23)