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

Systemtic Name: 2-[(2S)-4-[[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[3-(hydroxymethyl)-4-isopropoxy-phenyl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-isopropoxy-3-methylol-benzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C20H35N2O3+ MolecularWeight: 351.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC(=C(C=C2)OC(C)C)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O3/c1-15(2)22-9-8-21(13-19(22)7-10-23)12-17-5-6-20(25-16(3)4)18(11-17)14-24/h5-6,11,15-16,19,23-24H,7-10,12-14H2,1-4H3/p+1/t19-/m0/s1