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

Systemtic Name: [6-fluoranyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Openeye Name: [6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone CAS Name: [6-fluoro-4-(4-phenyl-1-piperazinyl)-3-quinolin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Traditional Name: [6-fluoro-4-(4-phenylpiperazino)quinolin-1-ium-3-yl]-(4-methoxyphenyl)methanone Formula: C27H25FN3O2+ MolecularWeight: 442.504703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24FN3O2/c1-33-22-10-7-19(8-11-22)27(32)24-18-29-25-12-9-20(28)17-23(25)26(24)31-15-13-30(14-16-31)21-5-3-2-4-6-21/h2-12,17-18H,13-16H2,1H3/p+1