(2S)-2-(phenylmethyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]morpholin-4-ium

Systemtic Name: (2S)-2-(phenylmethyl)-4-[(4-pyrimidin-2-yloxyphenyl)methyl]morpholin-4-ium Openeye Name: (2S)-2-benzyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]morpholin-4-ium CAS Name: (2S)-2-(phenylmethyl)-4-[[4-(2-pyrimidinyloxy)phenyl]methyl]morpholin-4-ium IUPAC Name: (2S)-2-benzyl-4-[(4-pyrimidin-2-yloxyphenyl)methyl]morpholin-4-ium Traditional Name: (2S)-2-benzyl-4-[4-(2-pyrimidyloxy)benzyl]morpholin-4-ium Formula: C22H24N3O2+ MolecularWeight: 362.44486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=C(C=C2)OC3=NC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=C(C=C2)OC3=NC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c1-2-5-18(6-3-1)15-21-17-25(13-14-26-21)16-19-7-9-20(10-8-19)27-22-23-11-4-12-24-22/h1-12,21H,13-17H2/p+1/t21-/m0/s1