ethyl 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-2-29-23(28)27-14-12-26(13-15-27)17-21-16-24-25-22(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16H,2,12-15,17H2,1H3,(H,24,25)/p+1