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

Systemtic Name: [(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-2-hydroxypropyl]-dimethylammonium IUPAC Name: [(2S)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-hydroxypropyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-(2-veratrylbenzimidazol-1-yl)propyl]-dimethyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-23(2)13-16(25)14-24-18-8-6-5-7-17(18)22-21(24)12-15-9-10-19(26-3)20(11-15)27-4/h5-11,16,25H,12-14H2,1-4H3/p+1/t16-/m1/s1