2-[2-oxidanyl-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoic acid

Systemtic Name: 2-[2-oxidanyl-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoic acid Openeye Name: 2-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoic acid CAS Name: 2-[2-hydroxy-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)propoxy]benzoic acid IUPAC Name: 2-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoic acid Traditional Name: 2-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoic acid Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=CC=C3C(=O)O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(COC3=CC=CC=C3C(=O)O)O)C

InChI

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