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

Systemtic Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-piperidin-1-ium-1-yl-butanenitrile Openeye Name: 2-[4-(4-chlorophenyl)thiazol-2-yl]-3-oxo-4-piperidin-1-ium-1-yl-butanenitrile CAS Name: 2-[4-(4-chlorophenyl)-2-thiazolyl]-3-oxo-4-(1-piperidin-1-iumyl)butanenitrile IUPAC Name: 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxo-4-piperidin-1-ium-1-ylbutanenitrile Traditional Name: 2-[4-(4-chlorophenyl)thiazol-2-yl]-3-keto-4-piperidin-1-ium-1-yl-butyronitrile Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3OS/c19-14-6-4-13(5-7-14)16-12-24-18(21-16)15(10-20)17(23)11-22-8-2-1-3-9-22/h4-7,12,15H,1-3,8-9,11H2/p+1