(3S)-1-ethyl-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one

Systemtic Name: (3S)-1-ethyl-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-1-ethyl-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-1-ethyl-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-1-ethyl-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-1-ethyl-4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3-methyl-piperazin-4-ium-2-one Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](C(C1=O)C)CC2=C(OC(=N2)C3=CC4=C(C(=C3)OC)OCO4)C

Isomeric SMILES

CCN1CC[NH+]([C@H](C1=O)C)CC2=C(OC(=N2)C3=CC4=C(C(=C3)OC)OCO4)C

InChI

InChI=1S/C20H25N3O5/c1-5-22-6-7-23(12(2)20(22)24)10-15-13(3)28-19(21-15)14-8-16(25-4)18-17(9-14)26-11-27-18/h8-9,12H,5-7,10-11H2,1-4H3/p+1/t12-/m0/s1