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

Systemtic Name: ethyl 6-(dimethylamino)-4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylate Openeye Name: ethyl 6-(dimethylamino)-4-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-4-oxo-3-(1-piperidin-1-iumylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(dimethylamino)-4-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylate Traditional Name: 6-(dimethylamino)-4-keto-3-(piperidin-1-ium-1-ylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O3/c1-4-26-20(25)18-16(13-23-10-6-5-7-11-23)19(24)15-12-14(22(2)3)8-9-17(15)21-18/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,24)/p+1