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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(=O)C)O)C

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(=O)C)O)C

InChI

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