thiophen-2-yl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]methanone

Systemtic Name: thiophen-2-yl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]methanone Openeye Name: 2-thienyl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]methanone CAS Name: thiophen-2-yl-[4-[2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: thiophen-2-yl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]methanone Traditional Name: 2-thienyl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazino]methanone Formula: C19H17F3N3OS+ MolecularWeight: 392.41799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H16F3N3OS/c20-19(21,22)17-12-15(13-4-1-2-5-14(13)23-17)24-7-9-25(10-8-24)18(26)16-6-3-11-27-16/h1-6,11-12H,7-10H2/p+1