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

Systemtic Name: 3-[4-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-[(4-ethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-5-(4-ethoxybenzylidene)-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C19H22N4O2S/c1-2-25-16-6-4-15(5-7-16)14-17-18(24)21-19(26-17)23-12-10-22(11-13-23)9-3-8-20/h4-7,14H,2-3,9-13H2,1H3/p+1/b17-14-