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

Systemtic Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C24H34FN2O3+ MolecularWeight: 417.536763

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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=C3F)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C24H33FN2O3/c1-24(2,3)20-15-19(29-4)9-10-23(20)30-17-18(28)16-26-11-13-27(14-12-26)22-8-6-5-7-21(22)25/h5-10,15,18,28H,11-14,16-17H2,1-4H3/p+1/t18-/m0/s1