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

Systemtic Name: dibutyl-[(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: dibutyl-[(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]ammonium CAS Name: dibutyl-[(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]ammonium IUPAC Name: dibutyl-[(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]azanium Traditional Name: dibutyl-[(2R)-2-hydroxy-3-(2-veratrylbenzimidazol-1-yl)propyl]ammonium Formula: C27H40N3O3+ MolecularWeight: 454.6248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O3/c1-5-7-15-29(16-8-6-2)19-22(31)20-30-24-12-10-9-11-23(24)28-27(30)18-21-13-14-25(32-3)26(17-21)33-4/h9-14,17,22,31H,5-8,15-16,18-20H2,1-4H3/p+1/t22-/m0/s1