[4-(3-ethenyl-1-methyl-quinolin-1-ium-2-yl)-2,6-dimethoxy-phenyl] benzoate iodide

Systemtic Name: [4-(3-ethenyl-1-methyl-quinolin-1-ium-2-yl)-2,6-dimethoxy-phenyl] benzoate iodide Openeye Name: [2,6-dimethoxy-4-(1-methyl-3-vinyl-quinolin-1-ium-2-yl)phenyl] benzoate iodide CAS Name: benzoic acid [4-(3-ethenyl-1-methyl-2-quinolin-1-iumyl)-2,6-dimethoxyphenyl] ester iodide IUPAC Name: [4-(3-ethenyl-1-methylquinolin-1-ium-2-yl)-2,6-dimethoxyphenyl] benzoate iodide Traditional Name: benzoic acid [2,6-dimethoxy-4-(1-methyl-3-vinyl-quinolin-1-ium-2-yl)phenyl] ester iodide Formula: C27H24INO4 MolecularWeight: 553.38823

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=CC2=CC=CC=C21)C=C)C3=CC(=C(C(=C3)OC)OC(=O)C4=CC=CC=C4)OC.[I-]

Isomeric SMILES

C[N+]1=C(C(=CC2=CC=CC=C21)C=C)C3=CC(=C(C(=C3)OC)OC(=O)C4=CC=CC=C4)OC.[I-]

InChI

InChI=1S/C27H24NO4.HI/c1-5-18-15-20-13-9-10-14-22(20)28(2)25(18)21-16-23(30-3)26(24(17-21)31-4)32-27(29)19-11-7-6-8-12-19;/h5-17H,1H2,2-4H3;1H/q+1;/p-1