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

Systemtic Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H38FN2O2+ MolecularWeight: 393.558423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37FN2O2/c1-23(2,3)18-8-10-20(11-9-18)28-17-19(27)16-25-12-14-26(15-13-25)22-7-5-4-6-21(22)24/h4-7,18-20,27H,8-17H2,1-3H3/p+1/t18?,19-,20?/m0/s1