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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4F)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4F)O

InChI

InChI=1S/C23H30FN3O2/c1-29-23-15-18(8-9-22(23)28)16-25-10-4-5-19(17-25)26-11-13-27(14-12-26)21-7-3-2-6-20(21)24/h2-3,6-9,15,19,28H,4-5,10-14,16-17H2,1H3/p+1/t19-/m0/s1