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

Systemtic Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]-4-methoxy-phenol CAS Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]methyl]-4-methoxy-phenol Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H30FN3O2/c1-29-22-8-9-23(28)18(15-22)16-25-10-2-3-21(17-25)27-13-11-26(12-14-27)20-6-4-19(24)5-7-20/h4-9,15,21,28H,2-3,10-14,16-17H2,1H3/p+1/t21-/m0/s1