[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinolin-6-yl-methanone

Systemtic Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinolin-6-yl-methanone Openeye Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(6-quinolyl)methanone CAS Name: [(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(6-quinolinyl)methanone IUPAC Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone Traditional Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-(6-quinolyl)methanone Formula: C25H28FN4O+ MolecularWeight: 419.514423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CC=C3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)N=CC=C3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H27FN4O/c26-21-6-8-22(9-7-21)28-13-15-29(16-14-28)23-4-2-12-30(18-23)25(31)20-5-10-24-19(17-20)3-1-11-27-24/h1,3,5-11,17,23H,2,4,12-16,18H2/p+1/t23-/m0/s1