1-[4-[3-(3-ethylbenzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-(3-ethylbenzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(3-ethylbenzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-(3-ethyl-1-benzimidazol-1-iumyl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-(3-ethylbenzimidazol-1-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-(3-ethylbenzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=CC=CC=C21)CC(COC3=CC=C(C=C3)C(=O)C)O

Isomeric SMILES

CCN1C=[N+](C2=CC=CC=C21)CC(COC3=CC=C(C=C3)C(=O)C)O

InChI

InChI=1S/C20H23N2O3/c1-3-21-14-22(20-7-5-4-6-19(20)21)12-17(24)13-25-18-10-8-16(9-11-18)15(2)23/h4-11,14,17,24H,3,12-13H2,1-2H3/q+1