(1-methylquinolin-1-ium-6-yl)-(3,4,5-trimethoxyphenyl)methanone iodide

Systemtic Name: (1-methylquinolin-1-ium-6-yl)-(3,4,5-trimethoxyphenyl)methanone iodide Openeye Name: (1-methylquinolin-1-ium-6-yl)-(3,4,5-trimethoxyphenyl)methanone iodide CAS Name: (1-methyl-6-quinolin-1-iumyl)-(3,4,5-trimethoxyphenyl)methanone iodide IUPAC Name: (1-methylquinolin-1-ium-6-yl)-(3,4,5-trimethoxyphenyl)methanone iodide Traditional Name: (1-methylquinolin-1-ium-6-yl)-(3,4,5-trimethoxyphenyl)methanone iodide Formula: C20H20INO4 MolecularWeight: 465.28157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO4.HI/c1-21-9-5-6-13-10-14(7-8-16(13)21)19(22)15-11-17(23-2)20(25-4)18(12-15)24-3;/h5-12H,1-4H3;1H/q+1;/p-1