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

Systemtic Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Openeye Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide CAS Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide IUPAC Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanethioamide Traditional Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionamide Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2OS/c1-4-23-22(26)20(21(25)18-10-9-15(2)16(3)13-18)24-12-11-17-7-5-6-8-19(17)14-24/h9-14,20H,4-8H2,1-3H3/p+1