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

Systemtic Name: (2S)-1-cyclohexyloxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(cyclohexoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-cyclohexyloxy-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-cyclohexyloxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(cyclohexoxy)-3-[4-(2-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=CC=C3F)O

Isomeric SMILES

C1CCC(CC1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C19H29FN2O2/c20-18-8-4-5-9-19(18)22-12-10-21(11-13-22)14-16(23)15-24-17-6-2-1-3-7-17/h4-5,8-9,16-17,23H,1-3,6-7,10-15H2/p+1/t16-/m0/s1