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

Systemtic Name: ethyl (3S)-1-[(3E)-3-cyano-2-oxidanylidene-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-thiazol-2-ylidene)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3E)-3-cyano-2-oxo-3-(4-phenyl-3H-1,3-thiazol-2-ylidene)propyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(3E)-3-cyano-2-keto-3-(4-phenyl-4-thiazolin-2-ylidene)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)C(=C2NC(=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)/C(=C/2\NC(=CS2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H23N3O3S/c1-2-27-21(26)16-9-6-10-24(12-16)13-19(25)17(11-22)20-23-18(14-28-20)15-7-4-3-5-8-15/h3-5,7-8,14,16,23H,2,6,9-10,12-13H2,1H3/p+1/b20-17+/t16-/m0/s1