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

Systemtic Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluorophenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluorophenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-adamantyl)-1-(2-fluorobenzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H34FN2O+ MolecularWeight: 373.527263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1C2C3CC4CC(C3)CC2C4)CCO)CC5=CC=CC=C5F

Isomeric SMILES

C1CN([C@H](C[NH+]1C2C3CC4CC(C3)CC2C4)CCO)CC5=CC=CC=C5F

InChI

InChI=1S/C23H33FN2O/c24-22-4-2-1-3-18(22)14-25-6-7-26(15-21(25)5-8-27)23-19-10-16-9-17(12-19)13-20(23)11-16/h1-4,16-17,19-21,23,27H,5-15H2/p+1/t16?,17?,19?,20?,21-,23?/m0/s1