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

Systemtic Name: methyl 3-[3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[2-hydroxy-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propoxy]benzoate CAS Name: 3-[2-hydroxy-3-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-3-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)propoxy]benzoate Traditional Name: 3-[2-hydroxy-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propoxy]benzoic acid methyl ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2O4/c1-4-8-21-23(2)19-11-5-6-12-20(19)24(21)14-17(25)15-28-18-10-7-9-16(13-18)22(26)27-3/h5-7,9-13,17,25H,4,8,14-15H2,1-3H3/q+1