2-morpholin-4-ium-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-morpholin-4-ium-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-morpholin-4-ium-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-morpholin-4-iumyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-morpholin-4-ium-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-morpholin-4-ium-4-yl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C13H15N4O4S+ MolecularWeight: 323.3476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S/c18-12(8-16-3-5-21-6-4-16)15-13-14-10-2-1-9(17(19)20)7-11(10)22-13/h1-2,7H,3-6,8H2,(H,14,15,18)/p+1