3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-4-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC(=CC=C3)O

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC(=CC=C3)O

InChI

InChI=1S/C21H28N2O2/c24-14-10-20-17-22(16-19-7-4-8-21(25)15-19)12-13-23(20)11-9-18-5-2-1-3-6-18/h1-8,15,20,24-25H,9-14,16-17H2/p+1/t20-/m0/s1