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

Systemtic Name: propyl 2-methyl-4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CCCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H26N2O3/c1-3-11-25-20(24)15-7-8-18-16(12-15)19(23)17(14(2)21-18)13-22-9-5-4-6-10-22/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,21,23)/p+1