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

Systemtic Name: 2-[(2S)-1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-benzyloxyphenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(4-phenylmethoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-benzoxybenzyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-22-12-13-23(16-20(22)11-14-24)15-18-7-9-21(10-8-18)25-17-19-5-3-2-4-6-19/h2-10,20,24H,11-17H2,1H3/p+1/t20-/m0/s1