3-[4-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-[(4-hydroxyphenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-5-(4-hydroxybenzylidene)-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC=C(C=C3)O)S2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=NC(=O)/C(=C/C3=CC=C(C=C3)O)/S2

InChI

InChI=1S/C17H18N4O2S/c18-6-1-7-20-8-10-21(11-9-20)17-19-16(23)15(24-17)12-13-2-4-14(22)5-3-13/h2-5,12,22H,1,7-11H2/p+1/b15-12-