4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 4-[(4-hydroxy-1-piperidin-1-iumyl)methyl]benzenecarbothioamide IUPAC Name: 4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]thiobenzamide Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1C[NH+](CCC1O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H18N2OS/c14-13(17)11-3-1-10(2-4-11)9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-9H2,(H2,14,17)/p+1