dibutyl-[(2R)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: dibutyl-[(2R)-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: dibutyl-[(2R)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propyl]ammonium CAS Name: dibutyl-[(2R)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]-1-benzimidazolyl]propyl]ammonium IUPAC Name: dibutyl-[(2R)-2-hydroxy-3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propyl]azanium Traditional Name: dibutyl-[(2R)-2-hydroxy-3-(2-p-anisylbenzimidazol-1-yl)propyl]ammonium Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC)O

Isomeric SMILES

CCCC[NH+](CCCC)C[C@@H](CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C26H37N3O2/c1-4-6-16-28(17-7-5-2)19-22(30)20-29-25-11-9-8-10-24(25)27-26(29)18-21-12-14-23(31-3)15-13-21/h8-15,22,30H,4-7,16-20H2,1-3H3/p+1/t22-/m0/s1