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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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