1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thiophen-2-yl-ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-thienyl)ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thiophen-2-ylethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(2-thienyl)ethanone Formula: C15H18N3OS+ MolecularWeight: 288.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C15H17N3OS/c19-15(12-13-4-3-11-20-13)18-9-7-17(8-10-18)14-5-1-2-6-16-14/h1-6,11H,7-10,12H2/p+1