2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 2-[[(3S)-3-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 2-[[(3S)-3-[4-(2-fluorophenyl)piperazino]piperidin-1-ium-1-yl]methyl]quinoline Formula: C25H30FN4+ MolecularWeight: 405.530903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3C=C2)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H29FN4/c26-23-8-2-4-10-25(23)30-16-14-29(15-17-30)22-7-5-13-28(19-22)18-21-12-11-20-6-1-3-9-24(20)27-21/h1-4,6,8-12,22H,5,7,13-19H2/p+1/t22-/m0/s1