tert-butyl N-[3-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propyl]carbamate bromide

Systemtic Name: tert-butyl N-[3-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]propyl]carbamate bromide Openeye Name: tert-butyl N-[3-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)propyl]carbamate bromide CAS Name: N-[3-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]propyl]carbamic acid tert-butyl ester bromide IUPAC Name: tert-butyl N-[3-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)propyl]carbamate bromide Traditional Name: N-[3-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)propyl]carbamic acid tert-butyl ester bromide Formula: C22H29BrN4O2 MolecularWeight: 461.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H28N4O2.BrH/c1-22(2,3)28-21(27)24-14-9-15-25-18-12-7-8-13-19(18)26(20(25)23)16-17-10-5-4-6-11-17;/h4-8,10-13,23H,9,14-16H2,1-3H3,(H,24,27);1H