1-[8-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]octyl]-3-(phenylmethyl)benzimidazol-3-ium-2-amine dibromide

Systemtic Name: 1-[8-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]octyl]-3-(phenylmethyl)benzimidazol-3-ium-2-amine dibromide Openeye Name: 1-[8-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)octyl]-3-benzyl-benzimidazol-3-ium-2-amine dibromide CAS Name: 1-[8-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]octyl]-3-(phenylmethyl)-2-benzimidazol-3-iumamine dibromide IUPAC Name: 1-[8-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)octyl]-3-benzylbenzimidazol-3-ium-2-amine dibromide Traditional Name: [1-[8-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)octyl]-3-benzyl-benzimidazol-3-ium-2-yl]amine dibromide Formula: C36H42Br2N6 MolecularWeight: 718.56688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCN4C5=CC=CC=C5[N+](=C4N)CC6=CC=CC=C6)N.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCN4C5=CC=CC=C5[N+](=C4N)CC6=CC=CC=C6)N.[Br-].[Br-]

InChI

InChI=1S/C36H40N6.2BrH/c37-35-39(31-21-11-13-23-33(31)41(35)27-29-17-7-5-8-18-29)25-15-3-1-2-4-16-26-40-32-22-12-14-24-34(32)42(36(40)38)28-30-19-9-6-10-20-30;;/h5-14,17-24,37-38H,1-4,15-16,25-28H2;2*1H