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

Systemtic Name: ethyl 5-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 5-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]-1-(4-methoxyphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 5-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C25H29ClN3O4+ MolecularWeight: 470.96846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C25H28ClN3O4/c1-3-33-24(30)22-16-27-29(20-8-10-21(32-2)11-9-20)23(22)17-28-14-12-25(31,13-15-28)18-4-6-19(26)7-5-18/h4-11,16,31H,3,12-15,17H2,1-2H3/p+1