[6-fluoranyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [6-fluoranyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [6-fluoro-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone CAS Name: [6-fluoro-4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-quinolin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [6-fluoro-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [6-fluoro-4-[4-(4-methoxyphenyl)piperazino]quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Formula: C28H27FN3O3+ MolecularWeight: 472.530683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)OC)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)OC)F

InChI

InChI=1S/C28H26FN3O3/c1-34-22-8-3-19(4-9-22)28(33)25-18-30-26-12-5-20(29)17-24(26)27(25)32-15-13-31(14-16-32)21-6-10-23(35-2)11-7-21/h3-12,17-18H,13-16H2,1-2H3/p+1