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

Systemtic Name: [(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-dipropyl-azanium Openeye Name: [(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]-dipropyl-ammonium CAS Name: [(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]-dipropylammonium IUPAC Name: [(2R)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]-dipropylazanium Traditional Name: [(2R)-2-hydroxy-3-(2-veratrylbenzimidazol-1-yl)propyl]-dipropyl-ammonium Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-5-13-27(14-6-2)17-20(29)18-28-22-10-8-7-9-21(22)26-25(28)16-19-11-12-23(30-3)24(15-19)31-4/h7-12,15,20,29H,5-6,13-14,16-18H2,1-4H3/p+1/t20-/m0/s1