2-(4-fluorophenyl)-8-methyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazoline

Systemtic Name: 2-(4-fluorophenyl)-8-methyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazoline Openeye Name: 2-(4-fluorophenyl)-8-methyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazoline CAS Name: 2-(4-fluorophenyl)-8-methyl-4-[2-(1-piperidin-1-iumyl)ethylthio]quinazoline IUPAC Name: 2-(4-fluorophenyl)-8-methyl-4-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazoline Traditional Name: 2-(4-fluorophenyl)-8-methyl-4-(2-piperidin-1-ium-1-ylethylthio)quinazoline Formula: C22H25FN3S+ MolecularWeight: 382.517403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2SCC[NH+]3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2SCC[NH+]3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3S/c1-16-6-5-7-19-20(16)24-21(17-8-10-18(23)11-9-17)25-22(19)27-15-14-26-12-3-2-4-13-26/h5-11H,2-4,12-15H2,1H3/p+1