3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide

Systemtic Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide Openeye Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide CAS Name: 3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]benzenecarbothioamide IUPAC Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzenecarbothioamide Traditional Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]thiobenzamide Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2S/c1-11-5-2-3-8-16(11)10-12-6-4-7-13(9-12)14(15)17/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H2,15,17)/p+1/t11-/m0/s1