ethyl 5-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-1-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-1-(1-methyl-2-oxo-4-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(2S)-2-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-1-(1-methyl-2-oxo-4-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[[(2S)-2-methylolpiperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH+]4CCCCC4CO

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH+]4CCCC[C@H]4CO

InChI

InChI=1S/C23H28N4O4/c1-3-31-23(30)18-13-24-27(21(18)14-26-11-7-6-8-16(26)15-28)20-12-22(29)25(2)19-10-5-4-9-17(19)20/h4-5,9-10,12-13,16,28H,3,6-8,11,14-15H2,1-2H3/p+1/t16-/m0/s1