N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)carbamimidothioate

Systemtic Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)carbamimidothioate Openeye Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)carbamimidothioate CAS Name: N'-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-N-(3-methoxyphenyl)carbamimidothioate IUPAC Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)carbamimidothioate Traditional Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(3-methoxyphenyl)carbamimidothioate Formula: C15H23N3OS MolecularWeight: 293.42762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3OS/c1-11-6-4-7-12(2)18(11)17-15(20)16-13-8-5-9-14(10-13)19-3/h5,8-12H,4,6-7H2,1-3H3,(H2,16,17,20)/t11-,12-/m1/s1