tert-butyl 3-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-2-yl-piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-2-yl-piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-methyl-4-(1H-pyrazol-5-yl)-1-(2-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 3-methyl-4-(1H-pyrazol-5-yl)-1-(2-pyridinyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-2-ylpiperazin-1-ium-1-carboxylate Traditional Name: 3-methyl-4-(1H-pyrazol-5-yl)-1-(2-pyridyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CCN1C2=CC=NN2)(C3=CC=CC=N3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1C[N+](CCN1C2=CC=NN2)(C3=CC=CC=N3)C(=O)OC(C)(C)C

InChI

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