N-(2-adamantyl)-2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-adamantyl)-2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C24H33FN3O3+ MolecularWeight: 430.535523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NC3C4CC5CC(C4)CC3C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3C4CC5CC(C4)CC3C5)F

InChI

InChI=1S/C24H32FN3O3/c1-31-19-3-2-16(20(25)11-19)13-28-5-4-26-24(30)21(28)12-22(29)27-23-17-7-14-6-15(9-17)10-18(23)8-14/h2-3,11,14-15,17-18,21,23H,4-10,12-13H2,1H3,(H,26,30)(H,27,29)/p+1/t14?,15?,17?,18?,21-,23?/m1/s1