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

Systemtic Name: 3-[3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 3-[2-hydroxy-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propoxy]benzoic acid CAS Name: 3-[2-hydroxy-3-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)propoxy]benzoic acid IUPAC Name: 3-[2-hydroxy-3-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)propoxy]benzoic acid Traditional Name: 3-[2-hydroxy-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propoxy]benzoic acid Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC(=C3)C(=O)O)O)C

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC(=C3)C(=O)O)O)C

InChI

InChI=1S/C21H24N2O4/c1-3-7-20-22(2)18-10-4-5-11-19(18)23(20)13-16(24)14-27-17-9-6-8-15(12-17)21(25)26/h4-6,8-12,16,24H,3,7,13-14H2,1-2H3/p+1