6-ethoxy-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

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