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

Systemtic Name: 6-ethoxy-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethoxy-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-[4-(4-fluorophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethoxy-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-ethoxy-4-[4-(4-fluorophenyl)piperazino]quinolin-1-ium Formula: C27H27FN3O3S+ MolecularWeight: 492.584983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3O3S/c1-2-34-22-12-13-25-24(18-22)27(26(19-29-25)35(32,33)23-6-4-3-5-7-23)31-16-14-30(15-17-31)21-10-8-20(28)9-11-21/h3-13,18-19H,2,14-17H2,1H3/p+1