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

Systemtic Name: 3-(2-bromophenyl)-N-ethyl-3-oxidanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Openeye Name: 3-(2-bromophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate CAS Name: 3-(2-bromophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate IUPAC Name: 3-(2-bromophenyl)-N-ethyl-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Traditional Name: 3-(2-bromophenyl)-N-ethyl-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionimidate Formula: C20H21BrN2OS MolecularWeight: 417.36254

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC=CC=C1Br)[N+]2=CC3=C(CCCC3)C=C2)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC=CC=C1Br)[N+]2=CC3=C(CCCC3)C=C2)[S-]

InChI

InChI=1S/C20H21BrN2OS/c1-2-22-20(25)18(19(24)16-9-5-6-10-17(16)21)23-12-11-14-7-3-4-8-15(14)13-23/h5-6,9-13,18H,2-4,7-8H2,1H3