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

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanimidate Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetimidate Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)N=C(C[NH+]3CCC4=CC=CC=C4C3)[O-]

Isomeric SMILES

C1CC1C2=NN=C(S2)N=C(C[NH+]3CCC4=CC=CC=C4C3)[O-]

InChI

InChI=1S/C16H18N4OS/c21-14(17-16-19-18-15(22-16)12-5-6-12)10-20-8-7-11-3-1-2-4-13(11)9-20/h1-4,12H,5-10H2,(H,17,19,21)