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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-(azepan-1-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-(1-azepan-1-iumyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(azepan-1-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C13H22N4OS MolecularWeight: 282.40498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)N=C(C[NH+]2CCCCCC2)[O-]

Isomeric SMILES

CCCC1=NN=C(S1)N=C(C[NH+]2CCCCCC2)[O-]

InChI

InChI=1S/C13H22N4OS/c1-2-7-12-15-16-13(19-12)14-11(18)10-17-8-5-3-4-6-9-17/h2-10H2,1H3,(H,14,16,18)