(5E)-5-[(4-nitrophenyl)methylidene]-2-(piperidin-1-ium-1-ylmethylamino)-1,3-thiazol-4-one

Systemtic Name: (5E)-5-[(4-nitrophenyl)methylidene]-2-(piperidin-1-ium-1-ylmethylamino)-1,3-thiazol-4-one Openeye Name: (5E)-5-[(4-nitrophenyl)methylene]-2-(piperidin-1-ium-1-ylmethylamino)thiazol-4-one CAS Name: (5E)-5-[(4-nitrophenyl)methylidene]-2-(1-piperidin-1-iumylmethylamino)-4-thiazolone IUPAC Name: (5E)-5-[(4-nitrophenyl)methylidene]-2-(piperidin-1-ium-1-ylmethylamino)-1,3-thiazol-4-one Traditional Name: (5E)-5-(4-nitrobenzylidene)-2-(piperidin-1-ium-1-ylmethylamino)-2-thiazolin-4-one Formula: C16H19N4O3S+ MolecularWeight: 347.41206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CNC2=NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2

Isomeric SMILES

C1CC[NH+](CC1)CNC2=NC(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/S2

InChI

InChI=1S/C16H18N4O3S/c21-15-14(10-12-4-6-13(7-5-12)20(22)23)24-16(18-15)17-11-19-8-2-1-3-9-19/h4-7,10H,1-3,8-9,11H2,(H,17,18,21)/p+1/b14-10+