(E)-3-oxidanyl-5-oxidanylidene-4-piperidin-4-yl-7-pyridin-4-yl-hept-6-enethial

Systemtic Name: (E)-3-oxidanyl-5-oxidanylidene-4-piperidin-4-yl-7-pyridin-4-yl-hept-6-enethial Openeye Name: (E)-3-hydroxy-5-oxo-4-(4-piperidyl)-7-(4-pyridyl)hept-6-enethial CAS Name: (E)-3-hydroxy-5-oxo-4-(4-piperidinyl)-7-pyridin-4-yl-6-heptenethial IUPAC Name: (E)-3-hydroxy-5-oxo-4-piperidin-4-yl-7-pyridin-4-ylhept-6-enethial Traditional Name: (E)-3-hydroxy-5-keto-4-(4-piperidyl)-7-(4-pyridyl)hept-6-enethial Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C(CC=S)O)C(=O)C=CC2=CC=NC=C2

Isomeric SMILES

C1CNCCC1C(C(CC=S)O)C(=O)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C17H22N2O2S/c20-15(2-1-13-3-8-18-9-4-13)17(16(21)7-12-22)14-5-10-19-11-6-14/h1-4,8-9,12,14,16-17,19,21H,5-7,10-11H2/b2-1+