1-ethyl-6-fluoranyl-3-(4-methoxyphenyl)sulfonyl-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one

Systemtic Name: 1-ethyl-6-fluoranyl-3-(4-methoxyphenyl)sulfonyl-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one Openeye Name: 1-ethyl-6-fluoro-3-(4-methoxyphenyl)sulfonyl-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one CAS Name: 1-ethyl-6-fluoro-3-(4-methoxyphenyl)sulfonyl-7-(4-propyl-1-piperazin-4-iumyl)-4-quinolinone IUPAC Name: 1-ethyl-6-fluoro-3-(4-methoxyphenyl)sulfonyl-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one Traditional Name: 1-ethyl-6-fluoro-3-(4-methoxyphenyl)sulfonyl-7-(4-propylpiperazin-4-ium-1-yl)-4-quinolone Formula: C25H31FN3O4S+ MolecularWeight: 488.594743

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=C(C=C4)OC)CC)F

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=C(C=C4)OC)CC)F

InChI

InChI=1S/C25H30FN3O4S/c1-4-10-27-11-13-29(14-12-27)23-16-22-20(15-21(23)26)25(30)24(17-28(22)5-2)34(31,32)19-8-6-18(33-3)7-9-19/h6-9,15-17H,4-5,10-14H2,1-3H3/p+1