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

Systemtic Name: dibutyl-[(2R)-2-oxidanyl-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]azanium Openeye Name: dibutyl-[(2R)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]ammonium CAS Name: dibutyl-[(2R)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]-1-benzimidazolyl]propyl]ammonium IUPAC Name: dibutyl-[(2R)-2-hydroxy-3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propyl]azanium Traditional Name: dibutyl-[(2R)-2-hydroxy-3-[2-(4-phenylbenzyl)benzimidazol-1-yl]propyl]ammonium Formula: C31H40N3O+ MolecularWeight: 470.6688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCC[NH+](CCCC)C[C@@H](CN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C31H39N3O/c1-3-5-20-33(21-6-4-2)23-28(35)24-34-30-15-11-10-14-29(30)32-31(34)22-25-16-18-27(19-17-25)26-12-8-7-9-13-26/h7-19,28,35H,3-6,20-24H2,1-2H3/p+1/t28-/m0/s1