[(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [(3S)-3-(hydroxymethyl)-3-(phenylmethyl)piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [(3S)-3-benzyl-3-(hydroxymethyl)-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [(3S)-3-(hydroxymethyl)-3-(phenylmethyl)-1-piperidinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [(3S)-3-benzyl-3-methylol-piperidino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])(CC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@](CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])(CC3=CC=CC=C3)CO

InChI

InChI=1S/C19H22N2O3/c22-15-19(13-16-5-2-1-3-6-16)9-4-10-20(14-19)18(23)17-7-11-21(24)12-8-17/h1-3,5-8,11-12,22H,4,9-10,13-15H2/t19-/m0/s1