tert-butyl 4-(imidazol-1-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(imidazol-1-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(imidazol-1-ylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(1-imidazolylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(imidazol-1-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(imidazol-1-ylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H23N4O2+ MolecularWeight: 267.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CN2C=CN=C2

InChI

InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-15(7-9-17)11-16-5-4-14-10-16/h4-5,10H,6-9,11H2,1-3H3/p+1