2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-4-carbothioamide

Systemtic Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-4-carbothioamide Openeye Name: 2-[(2S,6S)-2,6-dimethyl-1-piperidyl]pyridin-1-ium-4-carbothioamide CAS Name: 2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]pyridin-1-ium-4-carbothioamide Traditional Name: 2-[(2S,6S)-2,6-dimethylpiperidino]pyridin-1-ium-4-carbothioamide Formula: C13H20N3S+ MolecularWeight: 250.383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=[NH+]C=CC(=C2)C(=S)N)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C2=[NH+]C=CC(=C2)C(=S)N)C

InChI

InChI=1S/C13H19N3S/c1-9-4-3-5-10(2)16(9)12-8-11(13(14)17)6-7-15-12/h6-10H,3-5H2,1-2H3,(H2,14,17)/p+1/t9-,10-/m0/s1