3-(4-chlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide

Systemtic Name: 3-(4-chlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: N-allyl-3-(4-chlorophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: 3-(4-chlorophenyl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: 3-(4-chlorophenyl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: N-allyl-3-(4-chlorophenyl)-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C21H22ClN2OS+ MolecularWeight: 385.93018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2OS/c1-2-12-23-21(26)19(20(25)16-7-9-18(22)10-8-16)24-13-11-15-5-3-4-6-17(15)14-24/h2,7-11,13-14,19H,1,3-6,12H2/p+1