4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide

Systemtic Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide Openeye Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]benzenecarbothioamide IUPAC Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide Traditional Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]thiobenzamide Formula: C15H23N2S+ MolecularWeight: 263.42152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC=C(C=C2)C(=S)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C(=S)N)C

InChI

InChI=1S/C15H22N2S/c1-11-7-12(2)9-17(8-11)10-13-3-5-14(6-4-13)15(16)18/h3-6,11-12H,7-10H2,1-2H3,(H2,16,18)/p+1/t11-,12-/m0/s1