ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-4-25-19(24)23-9-7-22(8-10-23)13-17-12-20-21-18(17)16-6-5-14(2)15(3)11-16/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,20,21)/p+1