[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone CAS Name: [4-[4-(2-fluorophenyl)-1-piperazinyl]-6-methoxy-3-quinolin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxyquinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-[4-(2-fluorophenyl)piperazino]-6-methoxy-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=CC=C5F)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=CC=C5F)OC

InChI

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