N-(5-azanyl-2-methoxy-phenyl)-2-thiomorpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-(5-azanyl-2-methoxy-phenyl)-2-thiomorpholin-4-ium-4-yl-ethanamide Openeye Name: N-(5-amino-2-methoxy-phenyl)-2-thiomorpholin-4-ium-4-yl-acetamide CAS Name: N-(5-amino-2-methoxyphenyl)-2-(4-thiomorpholin-4-iumyl)acetamide IUPAC Name: N-(5-amino-2-methoxyphenyl)-2-thiomorpholin-4-ium-4-ylacetamide Traditional Name: N-(5-amino-2-methoxy-phenyl)-2-thiomorpholin-4-ium-4-yl-acetamide Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCSCC2

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCSCC2

InChI

InChI=1S/C13H19N3O2S/c1-18-12-3-2-10(14)8-11(12)15-13(17)9-16-4-6-19-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17)/p+1