2-[(2S)-4-(2-adamantyl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-adamantyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-adamantyl)-1-(2-fluoro-4-methoxy-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H36FN2O2+ MolecularWeight: 403.553243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)C3C4CC5CC(C4)CC3C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)C3C4CC5CC(C4)CC3C5)F

InChI

InChI=1S/C24H35FN2O2/c1-29-22-3-2-18(23(25)13-22)14-26-5-6-27(15-21(26)4-7-28)24-19-9-16-8-17(11-19)12-20(24)10-16/h2-3,13,16-17,19-21,24,28H,4-12,14-15H2,1H3/p+1/t16?,17?,19?,20?,21-,24?/m0/s1