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

Systemtic Name: 2-[(2S)-1-methyl-4-[[2-(2-phenylethynyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[[2-(2-phenylethynyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[2-(2-phenylethynyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[[2-(2-phenylethynyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[2-(2-phenylethynyl)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=CC=C2C#CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC=C2C#CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O/c1-23-14-15-24(18-22(23)13-16-25)17-21-10-6-5-9-20(21)12-11-19-7-3-2-4-8-19/h2-10,22,25H,13-18H2,1H3/p+1/t22-/m0/s1