2-[(2S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(3-fluorobenzyl)piperazin-1-ium-2-yl]ethanol Formula: C19H30FN2O+ MolecularWeight: 321.452703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H29FN2O/c20-17-6-4-5-16(13-17)14-21-10-11-22(19(15-21)9-12-23)18-7-2-1-3-8-18/h4-6,13,18-19,23H,1-3,7-12,14-15H2/p+1/t19-/m0/s1