2-[(2S)-1-(phenylmethyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(phenylmethyl)-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(phenylmethyl)-4-(3-phenylprop-2-ynyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(3-phenylprop-2-ynyl)piperazin-1-ium-2-yl]ethanol Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CC=CC=C2)CCO)CC#CC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CC=CC=C2)CCO)CC#CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O/c25-17-13-22-19-23(14-7-12-20-8-3-1-4-9-20)15-16-24(22)18-21-10-5-2-6-11-21/h1-6,8-11,22,25H,13-19H2/p+1/t22-/m0/s1