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

Systemtic Name: 3-[4-[4-oxidanylidene-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[5-[(2-isopropoxyphenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[4-oxo-5-[(2-propan-2-yloxyphenyl)methylidene]-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[4-oxo-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[5-(2-isopropoxybenzylidene)-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

CC(C)OC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C20H24N4O2S/c1-15(2)26-17-7-4-3-6-16(17)14-18-19(25)22-20(27-18)24-12-10-23(11-13-24)9-5-8-21/h3-4,6-7,14-15H,5,9-13H2,1-2H3/p+1