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

Systemtic Name: ethyl 5-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-ium-1-yl]methyl]-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidin-1-iumyl]methyl]-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-ium-1-yl]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[4-(4-chlorophenyl)-4-hydroxy-piperidin-1-ium-1-yl]methyl]-1-(2-pyridyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H26ClN4O3+ MolecularWeight: 441.93054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H25ClN4O3/c1-2-31-22(29)19-15-26-28(21-5-3-4-12-25-21)20(19)16-27-13-10-23(30,11-14-27)17-6-8-18(24)9-7-17/h3-9,12,15,30H,2,10-11,13-14,16H2,1H3/p+1