N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(2-fluorophenyl)carbamimidothioate

Systemtic Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(2-fluorophenyl)carbamimidothioate Openeye Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(2-fluorophenyl)carbamimidothioate CAS Name: N'-[(2R,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-N-(2-fluorophenyl)carbamimidothioate IUPAC Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(2-fluorophenyl)carbamimidothioate Traditional Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(2-fluorophenyl)carbamimidothioate Formula: C14H20FN3S MolecularWeight: 281.392103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1N=C(NC2=CC=CC=C2F)[S-])C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1/N=C(/NC2=CC=CC=C2F)\[S-])C

InChI

InChI=1S/C14H20FN3S/c1-10-6-5-7-11(2)18(10)17-14(19)16-13-9-4-3-8-12(13)15/h3-4,8-11H,5-7H2,1-2H3,(H2,16,17,19)/t10-,11+