3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]-1-benzimidazolyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(1R)-1-azaniumyl-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-[(1R)-1-ammonio-2-(4-hydroxyphenyl)ethyl]benzimidazol-1-yl]propyl-dimethyl-ammonium Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2N=C1C(CC3=CC=C(C=C3)O)[NH3+]

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2N=C1[C@@H](CC3=CC=C(C=C3)O)[NH3+]

InChI

InChI=1S/C20H26N4O/c1-23(2)12-5-13-24-19-7-4-3-6-18(19)22-20(24)17(21)14-15-8-10-16(25)11-9-15/h3-4,6-11,17,25H,5,12-14,21H2,1-2H3/p+2/t17-/m1/s1