ethyl 3-[4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[4-[(5E)-5-benzylidene-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[(5E)-4-oxo-5-(phenylmethylene)-2-thiazolyl]-1-piperazin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[(5E)-5-benzal-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionic acid ethyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3)S2

Isomeric SMILES

CCOC(=O)CC[NH+]1CCN(CC1)C2=NC(=O)/C(=C\C3=CC=CC=C3)/S2

InChI

InChI=1S/C19H23N3O3S/c1-2-25-17(23)8-9-21-10-12-22(13-11-21)19-20-18(24)16(26-19)14-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3/p+1/b16-14+