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

Systemtic Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]-2-pyridin-2-ylsulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]-2-(2-pyridylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[6-methyl-2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinyl]-2-(2-pyridinylsulfonyl)-2-propenenitrile IUPAC Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]-2-pyridin-2-ylsulfonylprop-2-enenitrile Traditional Name: 3-[4-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazino]-2-(2-pyridylsulfonyl)acrylonitrile Formula: C23H21F3N5O2S+ MolecularWeight: 488.50535

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=CC=N4)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=CC=N4)C(F)(F)F

InChI

InChI=1S/C23H20F3N5O2S/c1-16-5-6-19-18(12-16)20(13-21(29-19)23(24,25)26)31-10-8-30(9-11-31)15-17(14-27)34(32,33)22-4-2-3-7-28-22/h2-7,12-13,15H,8-11H2,1H3/p+1