2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazino]pyridin-1-ium-3-carbonitrile Formula: C18H19N4O2S+ MolecularWeight: 355.43406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N4O2S/c19-13-14-3-1-7-20-18(14)22-10-8-21(9-11-22)17(24)6-5-15(23)16-4-2-12-25-16/h1-4,7,12H,5-6,8-11H2/p+1