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

Systemtic Name: ethyl 2-methyl-4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3/c1-3-24-19(23)14-7-8-17-15(11-14)18(22)16(13(2)20-17)12-21-9-5-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)/p+1