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

Systemtic Name: dibutyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: dibutyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]ammonium CAS Name: dibutyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]ammonium IUPAC Name: dibutyl-[(2R)-3-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]azanium Traditional Name: dibutyl-[(2R)-3-[2-(4-chlorobenzyl)benzimidazol-1-yl]-2-hydroxy-propyl]ammonium Formula: C25H35ClN3O+ MolecularWeight: 429.0179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O/c1-3-5-15-28(16-6-4-2)18-22(30)19-29-24-10-8-7-9-23(24)27-25(29)17-20-11-13-21(26)14-12-20/h7-14,22,30H,3-6,15-19H2,1-2H3/p+1/t22-/m0/s1