1-cyclopropyl-2-[(3E)-3-ethylidene-4-sulfanyl-piperidin-1-yl]-2-(2-fluorophenyl)ethanone hydrochloride

Systemtic Name: 1-cyclopropyl-2-[(3E)-3-ethylidene-4-sulfanyl-piperidin-1-yl]-2-(2-fluorophenyl)ethanone hydrochloride Openeye Name: 1-cyclopropyl-2-[(3E)-3-ethylidene-4-sulfanyl-1-piperidyl]-2-(2-fluorophenyl)ethanone hydrochloride CAS Name: 1-cyclopropyl-2-[(3E)-3-ethylidene-4-mercapto-1-piperidinyl]-2-(2-fluorophenyl)ethanone hydrochloride IUPAC Name: 1-cyclopropyl-2-[(3E)-3-ethylidene-4-sulfanylpiperidin-1-yl]-2-(2-fluorophenyl)ethanone hydrochloride Traditional Name: 1-cyclopropyl-2-[(3E)-3-ethylidene-4-mercapto-piperidino]-2-(2-fluorophenyl)ethanone hydrochloride Formula: C18H23ClFNOS MolecularWeight: 355.897723

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CN(CCC1S)C(C2=CC=CC=C2F)C(=O)C3CC3.Cl

Isomeric SMILES

C/C=C/1\CN(CCC1S)C(C2=CC=CC=C2F)C(=O)C3CC3.Cl

InChI

InChI=1S/C18H22FNOS.ClH/c1-2-12-11-20(10-9-16(12)22)17(18(21)13-7-8-13)14-5-3-4-6-15(14)19;/h2-6,13,16-17,22H,7-11H2,1H3;1H/b12-2+;