N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate

Systemtic Name: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate CAS Name: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate IUPAC Name: N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetimidate Formula: C16H20N4OS MolecularWeight: 316.4212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)N=C(C[NH+]2CCC3=CC=CC=C3C2)[O-]

Isomeric SMILES

CC(C)C1=NN=C(S1)N=C(C[NH+]2CCC3=CC=CC=C3C2)[O-]

InChI

InChI=1S/C16H20N4OS/c1-11(2)15-18-19-16(22-15)17-14(21)10-20-8-7-12-5-3-4-6-13(12)9-20/h3-6,11H,7-10H2,1-2H3,(H,17,19,21)