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

Systemtic Name: 1-[4-[2-oxidanyl-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[4-[2-hydroxy-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)propoxy]phenyl]ethanone IUPAC Name: 1-[4-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[4-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]phenyl]ethanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)C(=O)C)O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=C(C=C3)C(=O)C)O)C

InChI

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