1-[2-[3-(1-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]-3-phenyl-propan-1-one iodide

Systemtic Name: 1-[2-[3-(1-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]-3-phenyl-propan-1-one iodide Openeye Name: 1-[2-[2-hydroxy-3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-3-phenyl-propan-1-one iodide CAS Name: 1-[2-[2-hydroxy-3-(1-methyl-1-piperidin-1-iumyl)propoxy]phenyl]-3-phenyl-1-propanone iodide IUPAC Name: 1-[2-[2-hydroxy-3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-3-phenylpropan-1-one iodide Traditional Name: 1-[2-[2-hydroxy-3-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-3-phenyl-propan-1-one iodide Formula: C24H32INO3 MolecularWeight: 509.42025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C24H32NO3.HI/c1-25(16-8-3-9-17-25)18-21(26)19-28-24-13-7-6-12-22(24)23(27)15-14-20-10-4-2-5-11-20;/h2,4-7,10-13,21,26H,3,8-9,14-19H2,1H3;1H/q+1;/p-1