(3S)-1,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: (3S)-1,3-dimethyl-4-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC[NH+]1CC2=C(OC(=N2)C3=CC(=CC=C3)OC4=CC=CC=C4)C)C

Isomeric SMILES

C[C@H]1C(=O)N(CC[NH+]1CC2=C(OC(=N2)C3=CC(=CC=C3)OC4=CC=CC=C4)C)C

InChI

InChI=1S/C23H25N3O3/c1-16-23(27)25(3)12-13-26(16)15-21-17(2)28-22(24-21)18-8-7-11-20(14-18)29-19-9-5-4-6-10-19/h4-11,14,16H,12-13,15H2,1-3H3/p+1/t16-/m0/s1