4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 4-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)thiobenzamide Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=S)N)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)C(=S)N)OCC[NH+]2CCCCC2

InChI

InChI=1S/C15H22N2O2S/c1-18-12-5-6-13(15(16)20)14(11-12)19-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3,(H2,16,20)/p+1