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

Systemtic Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Openeye Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate CAS Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate IUPAC Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Traditional Name: 3-(3,4-dimethylphenyl)-N-ethyl-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionimidate Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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