3-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 3-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 3-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-hydroxy-propoxy]benzoic acid CAS Name: 3-[3-(2,3-dimethyl-1-benzimidazol-3-iumyl)-2-hydroxypropoxy]benzoic acid IUPAC Name: 3-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-hydroxypropoxy]benzoic acid Traditional Name: 3-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-hydroxy-propoxy]benzoic acid Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC(=C3)C(=O)O)O)C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC(=C3)C(=O)O)O)C

InChI

InChI=1S/C19H20N2O4/c1-13-20(2)17-8-3-4-9-18(17)21(13)11-15(22)12-25-16-7-5-6-14(10-16)19(23)24/h3-10,15,22H,11-12H2,1-2H3/p+1