N-ethyl-3-(4-fluorophenyl)-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide

Systemtic Name: N-ethyl-3-(4-fluorophenyl)-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: N-ethyl-3-(4-fluorophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: N-ethyl-3-(4-fluorophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: N-ethyl-3-(4-fluorophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: N-ethyl-3-(4-fluorophenyl)-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C20H22FN2OS+ MolecularWeight: 357.464883

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C20H21FN2OS/c1-2-22-20(25)18(19(24)15-7-9-17(21)10-8-15)23-12-11-14-5-3-4-6-16(14)13-23/h7-13,18H,2-6H2,1H3/p+1