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

Systemtic Name: methyl 2-[2-oxidanyl-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoate Openeye Name: methyl 2-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoate CAS Name: 2-[2-hydroxy-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoate Traditional Name: 2-[2-hydroxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propoxy]benzoic acid methyl ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O4/c1-14-9-18-19(10-15(14)2)23(13-22(18)3)11-16(24)12-27-20-8-6-5-7-17(20)21(25)26-4/h5-10,13,16,24H,11-12H2,1-4H3/q+1