1-[[(3S)-1-[2-(hydroxymethyl)pyridin-1-ium-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[(3S)-1-[2-(hydroxymethyl)pyridin-1-ium-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[(3S)-1-[2-(hydroxymethyl)pyridin-1-ium-4-yl]-3-piperidyl]methyl]pyrrolidin-2-one CAS Name: 1-[[(3S)-1-[2-(hydroxymethyl)-4-pyridin-1-iumyl]-3-piperidinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[(3S)-1-[2-(hydroxymethyl)pyridin-1-ium-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[(3S)-1-(2-methylolpyridin-1-ium-4-yl)-3-piperidyl]methyl]-2-pyrrolidone Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC(=[NH+]C=C2)CO)CN3CCCC3=O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC(=[NH+]C=C2)CO)CN3CCCC3=O

InChI

InChI=1S/C16H23N3O2/c20-12-14-9-15(5-6-17-14)18-7-1-3-13(10-18)11-19-8-2-4-16(19)21/h5-6,9,13,20H,1-4,7-8,10-12H2/p+1/t13-/m0/s1