[2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]phenyl] benzoate iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC(=C(C(=C3)OC)OC(=O)C4=CC=CC=C4)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC(=C(C(=C3)OC)OC(=O)C4=CC=CC=C4)OC.[I-]

InChI

InChI=1S/C27H24NO4.HI/c1-28-16-15-20(22-11-7-8-12-23(22)28)14-13-19-17-24(30-2)26(25(18-19)31-3)32-27(29)21-9-5-4-6-10-21;/h4-18H,1-3H3;1H/q+1;/p-1/b14-13+;