4-(piperidin-1-ium-1-ylmethyl)benzenecarbothioamide

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)benzenecarbothioamide Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)benzenecarbothioamide CAS Name: 4-(1-piperidin-1-iumylmethyl)benzenecarbothioamide IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)benzenecarbothioamide Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)thiobenzamide Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H18N2S/c14-13(16)12-6-4-11(5-7-12)10-15-8-2-1-3-9-15/h4-7H,1-3,8-10H2,(H2,14,16)/p+1