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

Systemtic Name: (2Z)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2Z)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2Z)-3-keto-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S/c1-25-20-8-3-4-9-22(20)30-23(25)19(15-24)21(28)16-26-10-12-27(13-11-26)17-6-5-7-18(14-17)29-2/h3-9,14H,10-13,16H2,1-2H3/p+1/b23-19-