(3-morpholin-4-ylphenyl) 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoate chloride

Systemtic Name: (3-morpholin-4-ylphenyl) 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoate chloride Openeye Name: (3-morpholinophenyl) 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoate chloride CAS Name: 4-[(2,3-dimethyl-1-imidazol-3-iumyl)methyl]benzoic acid [3-(4-morpholinyl)phenyl] ester chloride IUPAC Name: (3-morpholin-4-ylphenyl) 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoate chloride Traditional Name: 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoic acid (3-morpholinophenyl) ester chloride Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)N4CCOCC4)C.[Cl-]

Isomeric SMILES

CC1=[N+](C=CN1CC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)N4CCOCC4)C.[Cl-]

InChI

InChI=1S/C23H26N3O3.ClH/c1-18-24(2)10-11-26(18)17-19-6-8-20(9-7-19)23(27)29-22-5-3-4-21(16-22)25-12-14-28-15-13-25;/h3-11,16H,12-15,17H2,1-2H3;1H/q+1;/p-1