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

Systemtic Name: 2-[(2S)-4-cycloheptyl-1-[(2-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cycloheptyl-1-[(2-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cycloheptyl-1-[(2-fluorophenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cycloheptyl-1-[(2-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cycloheptyl-1-(2-fluorobenzyl)piperazin-4-ium-2-yl]ethanol Formula: C20H32FN2O+ MolecularWeight: 335.479283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3F

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3F

InChI

InChI=1S/C20H31FN2O/c21-20-10-6-5-7-17(20)15-22-12-13-23(16-19(22)11-14-24)18-8-3-1-2-4-9-18/h5-7,10,18-19,24H,1-4,8-9,11-16H2/p+1/t19-/m0/s1