[3-(hydroxymethyl)piperidin-1-yl]-(2-pentylsulfanylpyridin-3-yl)methanone

Systemtic Name: [3-(hydroxymethyl)piperidin-1-yl]-(2-pentylsulfanylpyridin-3-yl)methanone Openeye Name: [3-(hydroxymethyl)-1-piperidyl]-(2-pentylsulfanyl-3-pyridyl)methanone CAS Name: [3-(hydroxymethyl)-1-piperidinyl]-[2-(pentylthio)-3-pyridinyl]methanone IUPAC Name: [3-(hydroxymethyl)piperidin-1-yl]-(2-pentylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(amylthio)-3-pyridyl]-(3-methylolpiperidino)methanone Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)N2CCCC(C2)CO

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N2CCCC(C2)CO

InChI

InChI=1S/C17H26N2O2S/c1-2-3-4-11-22-16-15(8-5-9-18-16)17(21)19-10-6-7-14(12-19)13-20/h5,8-9,14,20H,2-4,6-7,10-13H2,1H3