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

Systemtic Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C17H20N3O5+ MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCNC(=O)C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C17H19N3O5/c1-10-12(7-20-4-3-18-15(21)8-20)19-17(25-10)11-5-13(22-2)16-14(6-11)23-9-24-16/h5-6H,3-4,7-9H2,1-2H3,(H,18,21)/p+1