tert-butyl N-[11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecyl]carbamate bromide

Systemtic Name: tert-butyl N-[11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecyl]carbamate bromide Openeye Name: tert-butyl N-[11-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)undecyl]carbamate bromide CAS Name: N-[11-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]undecyl]carbamic acid tert-butyl ester bromide IUPAC Name: tert-butyl N-[11-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)undecyl]carbamate bromide Traditional Name: N-[11-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)undecyl]carbamic acid tert-butyl ester bromide Formula: C30H45BrN4O2 MolecularWeight: 573.6079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C30H44N4O2.BrH/c1-30(2,3)36-29(35)32-22-16-9-7-5-4-6-8-10-17-23-33-26-20-14-15-21-27(26)34(28(33)31)24-25-18-12-11-13-19-25;/h11-15,18-21,31H,4-10,16-17,22-24H2,1-3H3,(H,32,35);1H