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

Systemtic Name: (3S)-1-ethyl-4-[[2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-1-ethyl-4-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-1-ethyl-4-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-1-ethyl-4-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-1-ethyl-4-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one Formula: C19H25FN3O3+ MolecularWeight: 362.418503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O3/c1-5-22-8-9-23(12(2)19(22)24)11-16-13(3)26-18(21-16)14-6-7-15(20)17(10-14)25-4/h6-7,10,12H,5,8-9,11H2,1-4H3/p+1/t12-/m0/s1