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

Systemtic Name: (3S)-4-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-4-[[2-(2,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-4-[[2-(2,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-ethyl-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-4-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-ethyl-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-4-[[2-(2,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Formula: C20H28N3O4+ MolecularWeight: 374.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](C(C1=O)C)CC2=C(OC(=N2)C3=C(C=C(C=C3)OC)OC)C

Isomeric SMILES

CCN1CC[NH+]([C@H](C1=O)C)CC2=C(OC(=N2)C3=C(C=C(C=C3)OC)OC)C

InChI

InChI=1S/C20H27N3O4/c1-6-22-9-10-23(13(2)20(22)24)12-17-14(3)27-19(21-17)16-8-7-15(25-4)11-18(16)26-5/h7-8,11,13H,6,9-10,12H2,1-5H3/p+1/t13-/m0/s1