3-[3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 3-[3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 3-[3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-2-hydroxy-propoxy]benzoic acid CAS Name: 3-[3-(2-ethyl-3-methyl-1-benzimidazol-3-iumyl)-2-hydroxypropoxy]benzoic acid IUPAC Name: 3-[3-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-2-hydroxypropoxy]benzoic acid Traditional Name: 3-[3-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)-2-hydroxy-propoxy]benzoic acid Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-19-21(2)17-9-4-5-10-18(17)22(19)12-15(23)13-26-16-8-6-7-14(11-16)20(24)25/h4-11,15,23H,3,12-13H2,1-2H3/p+1