tert-butyl 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H29N4O2+ MolecularWeight: 309.42706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H28N4O2/c1-12-14(13(2)18(6)17-12)11-19-7-9-20(10-8-19)15(21)22-16(3,4)5/h7-11H2,1-6H3/p+1