(E)-1-[1-(hydroxymethyl)piperidin-1-ium-1-yl]-4-methyl-5-phenyl-pent-3-en-1-one chloride

Systemtic Name: (E)-1-[1-(hydroxymethyl)piperidin-1-ium-1-yl]-4-methyl-5-phenyl-pent-3-en-1-one chloride Openeye Name: (E)-1-[1-(hydroxymethyl)piperidin-1-ium-1-yl]-4-methyl-5-phenyl-pent-3-en-1-one chloride CAS Name: (E)-1-[1-(hydroxymethyl)-1-piperidin-1-iumyl]-4-methyl-5-phenyl-3-penten-1-one chloride IUPAC Name: (E)-1-[1-(hydroxymethyl)piperidin-1-ium-1-yl]-4-methyl-5-phenylpent-3-en-1-one chloride Traditional Name: (E)-4-methyl-1-(1-methylolpiperidin-1-ium-1-yl)-5-phenyl-pent-3-en-1-one chloride Formula: C18H26ClNO2 MolecularWeight: 323.85754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(=O)[N+]1(CCCCC1)CO)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C/C(=C\CC(=O)[N+]1(CCCCC1)CO)/CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H26NO2.ClH/c1-16(14-17-8-4-2-5-9-17)10-11-18(21)19(15-20)12-6-3-7-13-19;/h2,4-5,8-10,20H,3,6-7,11-15H2,1H3;1H/q+1;/p-1/b16-10+;