8-fluoranyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]quinoline

Systemtic Name: 8-fluoranyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]quinoline Openeye Name: 8-fluoro-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]quinoline CAS Name: 8-fluoro-2-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]quinoline IUPAC Name: 8-fluoro-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]quinoline Traditional Name: 8-fluoro-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]quinoline Formula: C25H30FN4+ MolecularWeight: 405.530903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC3=C(C=CC=C3F)C=C2)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=NC3=C(C=CC=C3F)C=C2)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H29FN4/c26-24-10-4-6-20-11-12-21(27-25(20)24)18-28-13-5-9-23(19-28)30-16-14-29(15-17-30)22-7-2-1-3-8-22/h1-4,6-8,10-12,23H,5,9,13-19H2/p+1/t23-/m0/s1