(2S)-1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(2,3-dimethyl-1-benzimidazol-3-iumyl)-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C(=[N+](C3=CC=CC=C32)C)C)O

InChI

InChI=1S/C19H23N2O2/c1-14-7-6-8-17(11-14)23-13-16(22)12-21-15(2)20(3)18-9-4-5-10-19(18)21/h4-11,16,22H,12-13H2,1-3H3/q+1/t16-/m0/s1