(2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]propan-2-ol Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CC[NH+](CC2)CCC3=CC=CC=N3)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](CN2CC[NH+](CC2)CCC3=CC=CC=N3)O

InChI

InChI=1S/C25H37N3O3/c1-25(2,3)23-17-22(30-4)8-9-24(23)31-19-21(29)18-28-15-13-27(14-16-28)12-10-20-7-5-6-11-26-20/h5-9,11,17,21,29H,10,12-16,18-19H2,1-4H3/p+1/t21-/m0/s1