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

Systemtic Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol Openeye Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol CAS Name: 1-(2,3-dimethyl-1-benzimidazol-3-iumyl)-3-(3-ethyl-5-methylphenoxy)-2-propanol IUPAC Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol Traditional Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O

Isomeric SMILES

CCC1=CC(=CC(=C1)C)OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O

InChI

InChI=1S/C21H27N2O2/c1-5-17-10-15(2)11-19(12-17)25-14-18(24)13-23-16(3)22(4)20-8-6-7-9-21(20)23/h6-12,18,24H,5,13-14H2,1-4H3/q+1