[2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone iodide

Systemtic Name: [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone iodide Openeye Name: [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone iodide CAS Name: [2-[2-(1-methyl-1-piperidin-1-iumyl)propoxy]phenyl]-phenylmethanone iodide IUPAC Name: [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone iodide Traditional Name: [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone iodide Formula: C22H28INO2 MolecularWeight: 465.36769

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[N+]3(CCCCC3)C.[I-]

Isomeric SMILES

CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[N+]3(CCCCC3)C.[I-]

InChI

InChI=1S/C22H28NO2.HI/c1-18(23(2)15-9-4-10-16-23)17-25-21-14-8-7-13-20(21)22(24)19-11-5-3-6-12-19;/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3;1H/q+1;/p-1