ethyl 1-(2-chlorophenyl)-5-[[4-(4-ethylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-chlorophenyl)-5-[[4-(4-ethylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-chlorophenyl)-5-[[4-(4-ethylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate CAS Name: 1-(2-chlorophenyl)-5-[[4-(4-ethyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chlorophenyl)-5-[[4-(4-ethylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorophenyl)-5-[[4-(4-ethylpiperazino)piperidin-1-ium-1-yl]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C24H35ClN5O2+ MolecularWeight: 461.02

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2CC[NH+](CC2)CC3=C(C=NN3C4=CC=CC=C4Cl)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2CC[NH+](CC2)CC3=C(C=NN3C4=CC=CC=C4Cl)C(=O)OCC

InChI

InChI=1S/C24H34ClN5O2/c1-3-27-13-15-29(16-14-27)19-9-11-28(12-10-19)18-23-20(24(31)32-4-2)17-26-30(23)22-8-6-5-7-21(22)25/h5-8,17,19H,3-4,9-16,18H2,1-2H3/p+1