2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-8-methoxy-quinoline

Systemtic Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-8-methoxy-quinoline Openeye Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]-8-methoxy-quinoline CAS Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-8-methoxyquinoline IUPAC Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-8-methoxyquinoline Traditional Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]methyl]-8-methoxy-quinoline Formula: C26H32FN4O+ MolecularWeight: 435.556883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2)CN3CCCC(C3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2)CN3CCC[C@@H](C3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H31FN4O/c1-32-25-6-2-4-20-7-10-22(28-26(20)25)18-29-13-3-5-24(19-29)31-16-14-30(15-17-31)23-11-8-21(27)9-12-23/h2,4,6-12,24H,3,5,13-19H2,1H3/p+1/t24-/m0/s1