(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-phenyl-1-piperazin-1-iumyl)butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-phenylpiperazin-1-ium-1-yl)butyronitrile Formula: C22H23N4OS+ MolecularWeight: 391.50922

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4OS/c1-24-19-9-5-6-10-21(19)28-22(24)18(15-23)20(27)16-25-11-13-26(14-12-25)17-7-3-2-4-8-17/h2-10H,11-14,16H2,1H3/p+1/b22-18-