ethyl 4-[[4-[[4-(3-methylphenyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[4-[[4-(3-methylphenyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[4-[[4-(m-tolyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[4-[[4-(3-methylphenyl)anilino]-oxomethyl]-1-piperidin-1-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[4-(3-methylphenyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[4-[[4-(m-tolyl)phenyl]carbamoyl]piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H30N4O3/c1-3-33-26(32)24-22(16-27-29-24)17-30-13-11-20(12-14-30)25(31)28-23-9-7-19(8-10-23)21-6-4-5-18(2)15-21/h4-10,15-16,20H,3,11-14,17H2,1-2H3,(H,27,29)(H,28,31)/p+1