N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[3-(propylthio)-1,2,4-thiadiazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[3-(propylthio)-1,2,4-thiadiazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C16H21N4OS2+ MolecularWeight: 349.49414

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSC(=N1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCSC1=NSC(=N1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H20N4OS2/c1-2-9-22-16-18-15(23-19-16)17-14(21)11-20-8-7-12-5-3-4-6-13(12)10-20/h3-6H,2,7-11H2,1H3,(H,17,18,19,21)/p+1