(2S)-1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H32ClN2O2+ MolecularWeight: 403.96538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C23H31ClN2O2/c1-23(2,3)21-9-4-5-10-22(21)28-17-20(27)16-25-11-13-26(14-12-25)19-8-6-7-18(24)15-19/h4-10,15,20,27H,11-14,16-17H2,1-3H3/p+1/t20-/m0/s1