3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide

Systemtic Name: 3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide Openeye Name: 3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide CAS Name: 3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzenecarbothioamide Traditional Name: 3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)thiobenzamide Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N)OCC[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N)OCC[NH+]2CCOCC2

InChI

InChI=1S/C14H20N2O3S/c1-17-13-10-11(14(15)20)2-3-12(13)19-9-6-16-4-7-18-8-5-16/h2-3,10H,4-9H2,1H3,(H2,15,20)/p+1