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

Systemtic Name: 2-[(2S)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethoxy-3-methylol-benzyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C24H35N2O3+ MolecularWeight: 399.5463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3)CO

InChI

InChI=1S/C24H34N2O3/c1-2-29-24-9-8-21(16-22(24)19-28)17-25-13-14-26(23(18-25)11-15-27)12-10-20-6-4-3-5-7-20/h3-9,16,23,27-28H,2,10-15,17-19H2,1H3/p+1/t23-/m0/s1