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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC=CC=C3O)S2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC=CC=C3O)S2

InChI

InChI=1S/C17H18N4O2S/c18-6-3-7-20-8-10-21(11-9-20)17-19-16(23)15(24-17)12-13-4-1-2-5-14(13)22/h1-2,4-5,12,22H,3,7-11H2/p+1