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

Systemtic Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-tert-butylphenoxy)propan-2-ol CAS Name: (2S)-1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-tert-butylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-tert-butylphenoxy)propan-2-ol Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC[C@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H34N2O2/c1-24(2,3)22-11-7-8-12-23(22)28-19-21(27)18-26-15-13-25(14-16-26)17-20-9-5-4-6-10-20/h4-12,21,27H,13-19H2,1-3H3/p+1/t21-/m0/s1