2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-pyrrolidin-1-ium-1-yl-butanenitrile

Systemtic Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-pyrrolidin-1-ium-1-yl-butanenitrile Openeye Name: 2-[4-(4-chlorophenyl)thiazol-2-yl]-3-oxo-4-pyrrolidin-1-ium-1-yl-butanenitrile CAS Name: 2-[4-(4-chlorophenyl)-2-thiazolyl]-3-oxo-4-(1-pyrrolidin-1-iumyl)butanenitrile IUPAC Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxo-4-pyrrolidin-1-ium-1-ylbutanenitrile Traditional Name: 2-[4-(4-chlorophenyl)thiazol-2-yl]-3-keto-4-pyrrolidin-1-ium-1-yl-butyronitrile Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[NH+](C1)CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3OS/c18-13-5-3-12(4-6-13)15-11-23-17(20-15)14(9-19)16(22)10-21-7-1-2-8-21/h3-6,11,14H,1-2,7-8,10H2/p+1