2-adamantyl-[[(3S)-1-[(4-fluorophenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: 2-adamantyl-[[(3S)-1-[(4-fluorophenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: 2-adamantyl-[[(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: 2-adamantyl-[[(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: 2-adamantyl-[[(3S)-1-(4-fluorobenzyl)-3-hydroxy-2-keto-3-piperidyl]methyl]ammonium Formula: C23H32FN2O2+ MolecularWeight: 387.510783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2=CC=C(C=C2)F)(C[NH2+]C3C4CC5CC(C4)CC3C5)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CC2=CC=C(C=C2)F)(C[NH2+]C3C4CC5CC(C4)CC3C5)O

InChI

InChI=1S/C23H31FN2O2/c24-20-4-2-15(3-5-20)13-26-7-1-6-23(28,22(26)27)14-25-21-18-9-16-8-17(11-18)12-19(21)10-16/h2-5,16-19,21,25,28H,1,6-14H2/p+1/t16?,17?,18?,19?,21?,23-/m0/s1