1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol

Systemtic Name: 1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol Openeye Name: 1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol CAS Name: 1-(3-ethyl-5,6-dimethyl-1-benzimidazol-1-iumyl)-3-(4-methoxyphenoxy)-2-propanol IUPAC Name: 1-(3-ethyl-5,6-dimethylbenzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol Traditional Name: 1-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=C1C=C(C(=C2)C)C)CC(COC3=CC=C(C=C3)OC)O

Isomeric SMILES

CCN1C=[N+](C2=C1C=C(C(=C2)C)C)CC(COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H27N2O3/c1-5-22-14-23(21-11-16(3)15(2)10-20(21)22)12-17(24)13-26-19-8-6-18(25-4)7-9-19/h6-11,14,17,24H,5,12-13H2,1-4H3/q+1