methyl 4-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoate iodide

Systemtic Name: methyl 4-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoate iodide Openeye Name: methyl 4-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-hydroxy-propoxy]benzoate iodide CAS Name: 4-[3-(2,3-dimethyl-1-benzimidazol-3-iumyl)-2-hydroxypropoxy]benzoic acid methyl ester iodide IUPAC Name: methyl 4-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-hydroxypropoxy]benzoate iodide Traditional Name: 4-[3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester iodide Formula: C20H23IN2O4 MolecularWeight: 482.31209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(=O)OC)O)C.[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CC(COC3=CC=C(C=C3)C(=O)OC)O)C.[I-]

InChI

InChI=1S/C20H23N2O4.HI/c1-14-21(2)18-6-4-5-7-19(18)22(14)12-16(23)13-26-17-10-8-15(9-11-17)20(24)25-3;/h4-11,16,23H,12-13H2,1-3H3;1H/q+1;/p-1