tert-butyl 4-[(4-bromophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-bromophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-bromophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-bromophenyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-bromophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-bromobenzyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)12-13-4-6-14(17)7-5-13/h4-7H,8-12H2,1-3H3/p+1