tert-butyl 4-(1,2,4-triazol-1-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(1,2,4-triazol-1-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(1,2,4-triazol-1-ylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,2,4-triazol-1-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C12H22N5O2+ MolecularWeight: 268.33538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C=NC=N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C=NC=N2

InChI

InChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)16-6-4-15(5-7-16)10-17-9-13-8-14-17/h8-9H,4-7,10H2,1-3H3/p+1