6-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 6-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium Openeye Name: 6-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium CAS Name: 6-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-3-(4-methoxyphenyl)sulfonylquinolin-1-ium IUPAC Name: 6-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylquinolin-1-ium Traditional Name: 6-ethyl-4-[4-(4-fluorophenyl)piperazino]-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium Formula: C28H29FN3O3S+ MolecularWeight: 506.611563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28FN3O3S/c1-3-20-4-13-26-25(18-20)28(32-16-14-31(15-17-32)22-7-5-21(29)6-8-22)27(19-30-26)36(33,34)24-11-9-23(35-2)10-12-24/h4-13,18-19H,3,14-17H2,1-2H3/p+1