ethyl 1-[[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[2-(7-chloranylquinolin-4-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(7-chloro-4-quinolyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(7-chloro-4-quinolinyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(7-chloroquinolin-4-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-carbethoxy-2-(7-chloro-4-quinolyl)pyrazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H28ClN4O4+ MolecularWeight: 471.95652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C24H27ClN4O4/c1-3-32-23(30)16-8-11-28(12-9-16)15-22-19(24(31)33-4-2)14-27-29(22)21-7-10-26-20-13-17(25)5-6-18(20)21/h5-7,10,13-14,16H,3-4,8-9,11-12,15H2,1-2H3/p+1