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

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butyronitrile Formula: C21H23N5OS+2 MolecularWeight: 393.50522

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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=[NH+]4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H21N5OS/c1-24-17-6-2-3-7-19(17)28-21(24)16(14-22)18(27)15-25-10-12-26(13-11-25)20-8-4-5-9-23-20/h2-9H,10-13,15H2,1H3/p+2/b21-16-