(5-methyl-4-propyl-thiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (5-methyl-4-propyl-thiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (5-methyl-4-propyl-2-thienyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (5-methyl-4-propyl-2-thiophenyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (5-methyl-4-propylthiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (5-methyl-4-propyl-2-thienyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C19H23F3N3OS+ MolecularWeight: 398.46563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C19H22F3N3OS/c1-3-4-14-11-16(27-13(14)2)18(26)25-9-7-24(8-10-25)17-6-5-15(12-23-17)19(20,21)22/h5-6,11-12H,3-4,7-10H2,1-2H3/p+1