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

Systemtic Name: (2S)-1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(cyclohexoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-cyclohexyloxy-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-cyclohexyloxy-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(cyclohexoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C19H30FN2O2+ MolecularWeight: 337.452103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCC(C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

C1CCC(CC1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C19H29FN2O2/c20-16-6-8-17(9-7-16)22-12-10-21(11-13-22)14-18(23)15-24-19-4-2-1-3-5-19/h6-9,18-19,23H,1-5,10-15H2/p+1/t18-/m0/s1