N-(3-carbamothioylphenyl)-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-(3-carbamothioylphenyl)-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(3-carbamothioylphenyl)-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: 2-morpholin-4-ium-4-yl-N-(3-thiocarbamoylphenyl)acetamide Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H17N3O2S/c14-13(19)10-2-1-3-11(8-10)15-12(17)9-16-4-6-18-7-5-16/h1-3,8H,4-7,9H2,(H2,14,19)(H,15,17)/p+1