(2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-isopropylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-isopropylphenoxy)propan-2-ol Formula: C22H30FN2O2+ MolecularWeight: 373.484203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O2/c1-17(2)21-5-3-4-6-22(21)27-16-20(26)15-24-11-13-25(14-12-24)19-9-7-18(23)8-10-19/h3-10,17,20,26H,11-16H2,1-2H3/p+1/t20-/m0/s1