1-[4-[3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-(3-ethyl-2-methyl-1-benzimidazol-1-iumyl)-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-(3-ethyl-2-methylbenzimidazol-1-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O3/c1-4-22-16(3)23(21-8-6-5-7-20(21)22)13-18(25)14-26-19-11-9-17(10-12-19)15(2)24/h5-12,18,25H,4,13-14H2,1-3H3/q+1