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

Systemtic Name: [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] benzoate iodide Openeye Name: [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl] benzoate iodide CAS Name: benzoic acid [2-methoxy-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]phenyl] ester iodide IUPAC Name: [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] benzoate iodide Traditional Name: benzoic acid [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl] ester iodide Formula: C26H22INO3 MolecularWeight: 523.36225

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC(=C(C=C3)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(=O)C4=CC=CC=C4)OC.[I-]

InChI

InChI=1S/C26H22NO3.HI/c1-27-22(16-14-20-8-6-7-11-23(20)27)15-12-19-13-17-24(25(18-19)29-2)30-26(28)21-9-4-3-5-10-21;/h3-18H,1-2H3;1H/q+1;/p-1/b15-12+;