1-[(3E)-3-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3E)-3-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3E)-3-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-3-cyano-2-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3E)-3-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-3-cyano-2-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3E)-3-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3E)-3-[4-(4-chlorophenyl)-4-thiazolin-2-ylidene]-3-cyano-2-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C19H20ClN4O2S+ MolecularWeight: 403.9057

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)C(=C2NC(=CS2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)/C(=C/2\NC(=CS2)C3=CC=C(C=C3)Cl)/C#N

InChI

InChI=1S/C19H19ClN4O2S/c20-14-3-1-12(2-4-14)16-11-27-19(23-16)15(9-21)17(25)10-24-7-5-13(6-8-24)18(22)26/h1-4,11,13,23H,5-8,10H2,(H2,22,26)/p+1/b19-15+