1-[[2-bromanyl-3-[(3-butylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-butyl-benzimidazol-1-ium

Systemtic Name: 1-[[2-bromanyl-3-[(3-butylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-butyl-benzimidazol-1-ium Openeye Name: 1-[[2-bromo-3-[(3-butylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-butyl-benzimidazol-1-ium CAS Name: 1-[[2-bromo-3-[(3-butyl-1-benzimidazol-1-iumyl)methyl]phenyl]methyl]-3-butylbenzimidazol-1-ium IUPAC Name: 1-[[2-bromo-3-[(3-butylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-butylbenzimidazol-1-ium Traditional Name: 1-[2-bromo-3-[(3-butylbenzimidazol-1-ium-1-yl)methyl]benzyl]-3-butyl-benzimidazol-1-ium Formula: C30H35BrN4+2 MolecularWeight: 531.5297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C2=CC=CC=C21)CC3=C(C(=CC=C3)C[N+]4=CN(C5=CC=CC=C54)CCCC)Br

Isomeric SMILES

CCCCN1C=[N+](C2=CC=CC=C21)CC3=C(C(=CC=C3)C[N+]4=CN(C5=CC=CC=C54)CCCC)Br

InChI

InChI=1S/C30H35BrN4/c1-3-5-18-32-22-34(28-16-9-7-14-26(28)32)20-24-12-11-13-25(30(24)31)21-35-23-33(19-6-4-2)27-15-8-10-17-29(27)35/h7-17,22-23H,3-6,18-21H2,1-2H3/q+2