3-[2-azanyl-3-[(2R)-2-(4-bromophenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanyl-3-[(2R)-2-(4-bromophenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-[(2R)-2-(4-bromophenyl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-1-benzimidazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]benzimidazol-3-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-amino-3-[(2R)-2-(4-bromophenyl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]propyl-dimethyl-ammonium Formula: C20H27BrN4O+2 MolecularWeight: 419.35858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC=C(C=C3)Br)O

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2[N+](=C1N)C[C@@H](C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H25BrN4O/c1-23(2)12-5-13-24-17-6-3-4-7-18(17)25(20(24)22)14-19(26)15-8-10-16(21)11-9-15/h3-4,6-11,19,22,26H,5,12-14H2,1-2H3/p+2/t19-/m0/s1