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

Systemtic Name: 2-[(2S)-1,4-bis[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1,4-bis[(2-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1,4-bis[(2-fluoro-4-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1,4-bis[(2-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1,4-bis(2-fluoro-4-methoxy-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H29F2N2O3+ MolecularWeight: 407.474066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28F2N2O3/c1-28-19-5-3-16(21(23)11-19)13-25-8-9-26(18(15-25)7-10-27)14-17-4-6-20(29-2)12-22(17)24/h3-6,11-12,18,27H,7-10,13-15H2,1-2H3/p+1/t18-/m0/s1