11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecan-1-ol bromide

Systemtic Name: 11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecan-1-ol bromide Openeye Name: 11-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)undecan-1-ol bromide CAS Name: 11-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-undecanol bromide IUPAC Name: 11-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)undecan-1-ol bromide Traditional Name: 11-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)undecan-1-ol bromide Formula: C25H36BrN3O MolecularWeight: 474.47684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCO)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCO)N.[Br-]

InChI

InChI=1S/C25H35N3O.BrH/c26-25-27(19-13-6-4-2-1-3-5-7-14-20-29)23-17-11-12-18-24(23)28(25)21-22-15-9-8-10-16-22;/h8-12,15-18,26,29H,1-7,13-14,19-21H2;1H