1-(1,3-benzodioxol-5-yl)-2-(2-methylquinolin-1-ium-1-yl)ethanone iodide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methylquinolin-1-ium-1-yl)ethanone iodide Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methylquinolin-1-ium-1-yl)ethanone iodide CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methyl-1-quinolin-1-iumyl)ethanone iodide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methylquinolin-1-ium-1-yl)ethanone iodide Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methylquinolin-1-ium-1-yl)ethanone iodide Formula: C19H16INO3 MolecularWeight: 433.23971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)CC(=O)C3=CC4=C(C=C3)OCO4.[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)CC(=O)C3=CC4=C(C=C3)OCO4.[I-]

InChI

InChI=1S/C19H16NO3.HI/c1-13-6-7-14-4-2-3-5-16(14)20(13)11-17(21)15-8-9-18-19(10-15)23-12-22-18;/h2-10H,11-12H2,1H3;1H/q+1;/p-1