2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3R)-3-methylol-3-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=O)C3=CC=CC=C3N2)(CCCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC(=O)C3=CC=CC=C3N2)(CCCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H30N2O2/c28-19-25(13-6-10-20-8-2-1-3-9-20)14-7-15-27(18-25)17-21-16-24(29)22-11-4-5-12-23(22)26-21/h1-5,8-9,11-12,16,28H,6-7,10,13-15,17-19H2,(H,26,29)/p+1/t25-/m1/s1