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

Systemtic Name: tert-butyl 3-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-3-yl-piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-methyl-4-(1H-pyrazol-5-yl)-1-(3-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 3-methyl-4-(1H-pyrazol-5-yl)-1-(3-pyridinyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-3-ylpiperazin-1-ium-1-carboxylate Traditional Name: 3-methyl-4-(1H-pyrazol-5-yl)-1-(3-pyridyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H26N5O2+ MolecularWeight: 344.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N5O2/c1-14-13-23(15-6-5-8-19-12-15,17(24)25-18(2,3)4)11-10-22(14)16-7-9-20-21-16/h5-9,12,14H,10-11,13H2,1-4H3,(H,20,21)/q+1