2-(azepan-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-(azepan-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-(1-azepan-1-iumyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(azepan-1-ium-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C12H20N4OS MolecularWeight: 268.3784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N=C(C[NH+]2CCCCCC2)[O-]

Isomeric SMILES

CCC1=NN=C(S1)N=C(C[NH+]2CCCCCC2)[O-]

InChI

InChI=1S/C12H20N4OS/c1-2-11-14-15-12(18-11)13-10(17)9-16-7-5-3-4-6-8-16/h2-9H2,1H3,(H,13,15,17)