2-[(2S)-4-[[3-(4-chloranylphenoxy)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[3-(4-chloranylphenoxy)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[3-(4-chlorophenoxy)benzyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-22-10-11-23(15-18(22)9-12-24)14-16-3-2-4-20(13-16)25-19-7-5-17(21)6-8-19/h2-8,13,18,24H,9-12,14-15H2,1H3/p+1/t18-/m0/s1