1-(3-ethyl-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol

Systemtic Name: 1-(3-ethyl-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol Openeye Name: 1-(3-ethyl-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol CAS Name: 1-(3-ethyl-5-methylphenoxy)-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)-2-propanol IUPAC Name: 1-(3-ethyl-5-methylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol Traditional Name: 1-(3-ethyl-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OCC(CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O

Isomeric SMILES

CCC1=CC(=CC(=C1)C)OCC(CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O

InChI

InChI=1S/C22H29N2O2/c1-6-18-7-15(2)8-20(11-18)26-13-19(25)12-24-14-23(5)21-9-16(3)17(4)10-22(21)24/h7-11,14,19,25H,6,12-13H2,1-5H3/q+1