2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanimidate CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetimidate Formula: C13H22N4OS MolecularWeight: 282.40498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=NC2=NN=C(S2)C(C)C)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=NC2=NN=C(S2)C(C)C)[O-]

InChI

InChI=1S/C13H22N4OS/c1-9(2)12-15-16-13(19-12)14-11(18)8-17-6-4-5-10(3)7-17/h9-10H,4-8H2,1-3H3,(H,14,16,18)/t10-/m0/s1