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

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-piperidin-1-ium-1-yl-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-piperidin-1-ium-1-yl-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(1-piperidin-1-iumyl)butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-piperidin-1-ium-1-ylbutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ium-1-yl-butyronitrile Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H19N3OS/c1-19-14-7-3-4-8-16(14)22-17(19)13(11-18)15(21)12-20-9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-10,12H2,1H3/p+1/b17-13-