2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(2-fluoro-5-methoxy-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(2-fluoro-5-methoxy-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C21H28FN2O2+ MolecularWeight: 359.457623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)F)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C21H27FN2O2/c1-26-20-7-8-21(22)18(13-20)15-23-10-11-24(19(16-23)9-12-25)14-17-5-3-2-4-6-17/h2-8,13,19,25H,9-12,14-16H2,1H3/p+1/t19-/m0/s1