2-(azepan-1-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanimidate

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanimidate Openeye Name: 2-(azepan-1-ium-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-(1-azepan-1-iumyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanimidate IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanimidate Traditional Name: 2-(azepan-1-ium-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C14H24N4OS MolecularWeight: 296.43156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)N=C(C[NH+]2CCCCCC2)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)N=C(C[NH+]2CCCCCC2)[O-]

InChI

InChI=1S/C14H24N4OS/c1-11(2)9-13-16-17-14(20-13)15-12(19)10-18-7-5-3-4-6-8-18/h11H,3-10H2,1-2H3,(H,15,17,19)