N-(3-carbamothioylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-carbamothioylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-carbamothioylphenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-thiocarbamoylphenyl)acetamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=S)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=S)N)C

InChI

InChI=1S/C16H23N3OS/c1-11-6-12(2)9-19(8-11)10-15(20)18-14-5-3-4-13(7-14)16(17)21/h3-5,7,11-12H,6,8-10H2,1-2H3,(H2,17,21)(H,18,20)/p+1/t11-,12-/m0/s1