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

Systemtic Name: 3-(2,4-dichlorophenyl)-N-ethyl-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: 3-(2,4-dichlorophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: 3-(2,4-dichlorophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: 3-(2,4-dichlorophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: 3-(2,4-dichlorophenyl)-N-ethyl-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C20H21Cl2N2OS+ MolecularWeight: 408.36454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2OS/c1-2-23-20(26)18(19(25)16-8-7-15(21)11-17(16)22)24-10-9-13-5-3-4-6-14(13)12-24/h7-12,18H,2-6H2,1H3/p+1