(2Z)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)-4-pyrrolidin-1-ium-1-yl-butanenitrile

Systemtic Name: (2Z)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)-4-pyrrolidin-1-ium-1-yl-butanenitrile Openeye Name: (2Z)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)-4-pyrrolidin-1-ium-1-yl-butanenitrile CAS Name: (2Z)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)-4-(1-pyrrolidin-1-iumyl)butanenitrile IUPAC Name: (2Z)-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)-4-pyrrolidin-1-ium-1-ylbutanenitrile Traditional Name: (2Z)-3-keto-2-(4-phenyl-4-thiazolin-2-ylidene)-4-pyrrolidin-1-ium-1-yl-butyronitrile Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)C(=C2NC(=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CC[NH+](C1)CC(=O)/C(=C\2/NC(=CS2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C17H17N3OS/c18-10-14(16(21)11-20-8-4-5-9-20)17-19-15(12-22-17)13-6-2-1-3-7-13/h1-3,6-7,12,19H,4-5,8-9,11H2/p+1/b17-14-