(1-methylquinolin-1-ium-7-yl) benzoate iodide

Systemtic Name: (1-methylquinolin-1-ium-7-yl) benzoate iodide Openeye Name: (1-methylquinolin-1-ium-7-yl) benzoate iodide CAS Name: benzoic acid (1-methyl-7-quinolin-1-iumyl) ester iodide IUPAC Name: (1-methylquinolin-1-ium-7-yl) benzoate iodide Traditional Name: benzoic acid (1-methylquinolin-1-ium-7-yl) ester iodide Formula: C17H14INO2 MolecularWeight: 391.20303

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H14NO2.HI/c1-18-11-5-8-13-9-10-15(12-16(13)18)20-17(19)14-6-3-2-4-7-14;/h2-12H,1H3;1H/q+1;/p-1