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

Systemtic Name: 8-fluoranyl-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 8-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazino]piperidin-1-ium-1-yl]methyl]quinoline Formula: C26H32FN4O+ MolecularWeight: 435.556883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=NC5=C(C=CC=C5F)C=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=NC5=C(C=CC=C5F)C=C4

InChI

InChI=1S/C26H31FN4O/c1-32-25-10-3-2-9-24(25)31-16-14-30(15-17-31)22-7-5-13-29(19-22)18-21-12-11-20-6-4-8-23(27)26(20)28-21/h2-4,6,8-12,22H,5,7,13-19H2,1H3/p+1/t22-/m0/s1