1-[4-[3-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-(3-ethyl-5,6-dimethyl-1-benzimidazol-1-iumyl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-(3-ethyl-5,6-dimethylbenzimidazol-1-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-(3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H27N2O3+ MolecularWeight: 367.46138

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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)C(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2O3/c1-5-23-14-24(22-11-16(3)15(2)10-21(22)23)12-19(26)13-27-20-8-6-18(7-9-20)17(4)25/h6-11,14,19,26H,5,12-13H2,1-4H3/q+1