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

Systemtic Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H34ClN2O3+ MolecularWeight: 433.99136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN2O3/c1-24(2,3)22-15-21(29-4)8-9-23(22)30-17-20(28)16-26-10-12-27(13-11-26)19-7-5-6-18(25)14-19/h5-9,14-15,20,28H,10-13,16-17H2,1-4H3/p+1/t20-/m0/s1