3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]-2-thiophen-2-ylsulfonyl-prop-2-enenitrile

Systemtic Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]-2-thiophen-2-ylsulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]-2-(2-thienylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[6-methyl-2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinyl]-2-thiophen-2-ylsulfonyl-2-propenenitrile IUPAC Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]-2-thiophen-2-ylsulfonylprop-2-enenitrile Traditional Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazino]-2-(2-thienylsulfonyl)acrylonitrile Formula: C22H20F3N4O2S2+ MolecularWeight: 493.54501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCN(CC3)C=C(C#N)S(=O)(=O)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCN(CC3)C=C(C#N)S(=O)(=O)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O2S2/c1-15-4-5-18-17(11-15)19(12-20(27-18)22(23,24)25)29-8-6-28(7-9-29)14-16(13-26)33(30,31)21-3-2-10-32-21/h2-5,10-12,14H,6-9H2,1H3/p+1