5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazino]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)F)O

InChI

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