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

Systemtic Name: 1-[(3E)-3-cyano-2-oxidanylidene-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3E)-3-cyano-2-keto-3-(4-phenyl-4-thiazolin-2-ylidene)propyl]piperidin-1-ium-4-carboxamide Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c20-10-15(17(24)11-23-8-6-14(7-9-23)18(21)25)19-22-16(12-26-19)13-4-2-1-3-5-13/h1-5,12,14,22H,6-9,11H2,(H2,21,25)/p+1/b19-15+