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

Systemtic Name: 3-[4-[5-[(4-methoxyphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[5-[(4-methoxyphenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-keto-5-p-anisylidene-2-thiazolin-2-yl)piperazin-1-ium-1-yl]propionitrile Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C18H20N4O2S/c1-24-15-5-3-14(4-6-15)13-16-17(23)20-18(25-16)22-11-9-21(10-12-22)8-2-7-19/h3-6,13H,2,8-12H2,1H3/p+1