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

Systemtic Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3-(4-propylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(4-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=C(C=C3)F)O

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O2/c1-2-3-18-4-10-22(11-5-18)27-17-21(26)16-24-12-14-25(15-13-24)20-8-6-19(23)7-9-20/h4-11,21,26H,2-3,12-17H2,1H3/p+1/t21-/m0/s1