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

Systemtic Name: (2Z)-3-oxidanylidene-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)-4-piperidin-1-ium-1-yl-butanenitrile Openeye Name: (2Z)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)-4-piperidin-1-ium-1-yl-butanenitrile CAS Name: (2Z)-3-oxo-2-(4-phenyl-3H-thiazol-2-ylidene)-4-(1-piperidin-1-iumyl)butanenitrile IUPAC Name: (2Z)-3-oxo-2-(4-phenyl-3H-1,3-thiazol-2-ylidene)-4-piperidin-1-ium-1-ylbutanenitrile Traditional Name: (2Z)-3-keto-2-(4-phenyl-4-thiazolin-2-ylidene)-4-piperidin-1-ium-1-yl-butyronitrile Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C(=C2NC(=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)/C(=C\2/NC(=CS2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C18H19N3OS/c19-11-15(17(22)12-21-9-5-2-6-10-21)18-20-16(13-23-18)14-7-3-1-4-8-14/h1,3-4,7-8,13,20H,2,5-6,9-10,12H2/p+1/b18-15-