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

Systemtic Name: methyl 3-[3-(3-methyl-2-propan-2-yl-benzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[2-hydroxy-3-(2-isopropyl-3-methyl-benzimidazol-3-ium-1-yl)propoxy]benzoate CAS Name: 3-[2-hydroxy-3-(3-methyl-2-propan-2-yl-1-benzimidazol-3-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-3-(3-methyl-2-propan-2-ylbenzimidazol-3-ium-1-yl)propoxy]benzoate Traditional Name: 3-[2-hydroxy-3-(2-isopropyl-3-methyl-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:

CC(C)C1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC(=C3)C(=O)OC)O)C

Isomeric SMILES

CC(C)C1=[N+](C2=CC=CC=C2N1CC(COC3=CC=CC(=C3)C(=O)OC)O)C

InChI

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