tert-butyl 1-(4-chlorophenyl)-3-methyl-4-(1H-pyrazol-5-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-chlorophenyl)-3-methyl-4-(1H-pyrazol-5-yl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-chlorophenyl)-3-methyl-4-(1H-pyrazol-5-yl)piperazin-1-ium-1-carboxylate CAS Name: 1-(4-chlorophenyl)-3-methyl-4-(1H-pyrazol-5-yl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-chlorophenyl)-3-methyl-4-(1H-pyrazol-5-yl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(4-chlorophenyl)-3-methyl-4-(1H-pyrazol-5-yl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H26ClN4O2+ MolecularWeight: 377.88834

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CCN1C2=CC=NN2)(C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1C[N+](CCN1C2=CC=NN2)(C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H26ClN4O2/c1-14-13-24(18(25)26-19(2,3)4,16-7-5-15(20)6-8-16)12-11-23(14)17-9-10-21-22-17/h5-10,14H,11-13H2,1-4H3,(H,21,22)/q+1