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

Systemtic Name: (E)-1-[1-(hydroxymethyl)piperidin-1-ium-1-yl]-4-methyl-5-phenyl-pent-3-en-1-one Openeye Name: (E)-1-[1-(hydroxymethyl)piperidin-1-ium-1-yl]-4-methyl-5-phenyl-pent-3-en-1-one CAS Name: (E)-1-[1-(hydroxymethyl)-1-piperidin-1-iumyl]-4-methyl-5-phenyl-3-penten-1-one IUPAC Name: (E)-1-[1-(hydroxymethyl)piperidin-1-ium-1-yl]-4-methyl-5-phenylpent-3-en-1-one Traditional Name: (E)-4-methyl-1-(1-methylolpiperidin-1-ium-1-yl)-5-phenyl-pent-3-en-1-one Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26NO2/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/q+1/b16-10+