(2Z)-4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-4-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-4-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2Z)-4-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2Z)-4-[4-(2-furoyl)piperazin-1-ium-1-yl]-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H20N4O3S/c1-23-16-5-2-3-7-19(16)29-21(23)15(13-22)17(26)14-24-8-10-25(11-9-24)20(27)18-6-4-12-28-18/h2-7,12H,8-11,14H2,1H3/p+1/b21-15-