4-[(2R)-3-(3-methylbenzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: 4-[(2R)-3-(3-methylbenzimidazol-3-ium-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: 4-[(2R)-2-hydroxy-3-(3-methylbenzimidazol-3-ium-1-yl)propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(3-methyl-1-benzimidazol-3-iumyl)propoxy]benzoate IUPAC Name: 4-[(2R)-2-hydroxy-3-(3-methylbenzimidazol-3-ium-1-yl)propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-(3-methylbenzimidazol-3-ium-1-yl)propoxy]benzoate Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(COC3=CC=C(C=C3)C(=O)[O-])O

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)C[C@H](COC3=CC=C(C=C3)C(=O)[O-])O

InChI

InChI=1S/C18H18N2O4/c1-19-12-20(17-5-3-2-4-16(17)19)10-14(21)11-24-15-8-6-13(7-9-15)18(22)23/h2-9,12,14,21H,10-11H2,1H3/t14-/m1/s1