3-[(3-methylphenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Openeye Name: 3-(m-tolylmethylsulfanyl)-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile CAS Name: 3-[(3-methylphenyl)methylthio]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile Traditional Name: 3-[(3-methylbenzyl)thio]-1-(trifluoromethyl)-2-pyrindan-2-ium-4-carbonitrile Formula: C18H16F3N2S+ MolecularWeight: 349.39325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=[NH+]C(=C3CCCC3=C2C#N)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=[NH+]C(=C3CCCC3=C2C#N)C(F)(F)F

InChI

InChI=1S/C18H15F3N2S/c1-11-4-2-5-12(8-11)10-24-17-15(9-22)13-6-3-7-14(13)16(23-17)18(19,20)21/h2,4-5,8H,3,6-7,10H2,1H3/p+1