5-methyl-N-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: 5-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide CAS Name: 5-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethyl]-5-methyl-thiophene-2-carboxamide Formula: C18H20F3N4O2S+ MolecularWeight: 413.43721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2S/c1-12-2-4-14(28-12)17(27)23-11-16(26)25-8-6-24(7-9-25)15-5-3-13(10-22-15)18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H,23,27)/p+1