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

Systemtic Name: 3-[4-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-benzylidene-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-4-oxo-5-(phenylmethylene)-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-5-benzal-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c18-7-4-8-20-9-11-21(12-10-20)17-19-16(22)15(23-17)13-14-5-2-1-3-6-14/h1-3,5-6,13H,4,8-12H2/p+1/b15-13-