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

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-pyrrolidin-1-ium-1-yl-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-pyrrolidin-1-ium-1-yl-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(1-pyrrolidin-1-iumyl)butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-pyrrolidin-1-ium-1-ylbutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ium-1-yl-butyronitrile Formula: C16H18N3OS+ MolecularWeight: 300.39862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)C[NH+]3CCCC3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C16H17N3OS/c1-18-13-6-2-3-7-15(13)21-16(18)12(10-17)14(20)11-19-8-4-5-9-19/h2-3,6-7H,4-5,8-9,11H2,1H3/p+1/b16-12-