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

Systemtic Name: N'-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-phenyl-carbamimidothioate Openeye Name: N'-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-phenyl-carbamimidothioate CAS Name: N'-[(2S,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-N-phenylcarbamimidothioate IUPAC Name: N'-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-phenylcarbamimidothioate Traditional Name: N'-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-phenyl-carbamimidothioate Formula: C14H21N3S MolecularWeight: 263.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1N=C(NC2=CC=CC=C2)[S-])C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1/N=C(/NC2=CC=CC=C2)\[S-])C

InChI

InChI=1S/C14H21N3S/c1-11-7-6-8-12(2)17(11)16-14(18)15-13-9-4-3-5-10-13/h3-5,9-12H,6-8H2,1-2H3,(H2,15,16,18)/t11-,12+