N-(3-carbamothioylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-carbamothioylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(3-carbamothioylphenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(3-thiocarbamoylphenyl)acetamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-11-5-3-6-12(2)19(11)10-15(20)18-14-8-4-7-13(9-14)16(17)21/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H2,17,21)(H,18,20)/p+1/t11-,12-/m0/s1