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

Systemtic Name: 3-(2-chlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Openeye Name: N-allyl-3-(2-chlorophenyl)-3-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate CAS Name: 3-(2-chlorophenyl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate IUPAC Name: 3-(2-chlorophenyl)-3-oxo-N-prop-2-enyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanimidothioate Traditional Name: N-allyl-3-(2-chlorophenyl)-3-keto-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)thiopropionimidate Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C(=O)C1=CC=CC=C1Cl)[N+]2=CC3=C(CCCC3)C=C2)[S-]

Isomeric SMILES

C=CCN=C(C(C(=O)C1=CC=CC=C1Cl)[N+]2=CC3=C(CCCC3)C=C2)[S-]

InChI

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