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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C22H29FN2O2/c1-2-5-18-8-10-20(11-9-18)27-17-19(26)16-24-12-14-25(15-13-24)22-7-4-3-6-21(22)23/h3-4,6-11,19,26H,2,5,12-17H2,1H3/p+1/t19-/m0/s1