2-[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H30FN4O2+ MolecularWeight: 461.551103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H29FN4O2/c28-21-10-8-20(9-11-21)25-18-23(22-6-2-3-7-24(22)29-25)27(34)32-16-14-30(15-17-32)19-26(33)31-12-4-1-5-13-31/h2-3,6-11,18H,1,4-5,12-17,19H2/p+1