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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-(azepan-1-ium-1-yl)-N-(1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-(1-azepan-1-iumyl)-N-(1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(azepan-1-ium-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetimidate Formula: C10H16N4OS MolecularWeight: 240.32524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=NC2=NN=CS2)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=NC2=NN=CS2)[O-]

InChI

InChI=1S/C10H16N4OS/c15-9(12-10-13-11-8-16-10)7-14-5-3-1-2-4-6-14/h8H,1-7H2,(H,12,13,15)