methyl 2-methyl-4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate

Systemtic Name: methyl 2-methyl-4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: methyl 2-methyl-4-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate CAS Name: 2-methyl-4-oxo-3-(1-piperidin-1-iumylmethyl)-1H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylic acid methyl ester Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C18H22N2O3/c1-12-15(11-20-8-4-3-5-9-20)17(21)14-10-13(18(22)23-2)6-7-16(14)19-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,21)/p+1