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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=CC=C2C(=S)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C14H20N2S/c1-11-5-4-8-16(9-11)10-12-6-2-3-7-13(12)14(15)17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,15,17)/p+1/t11-/m0/s1