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

Systemtic Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C19H24N3O5+ MolecularWeight: 374.41096

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-11-13(9-22-6-5-20-18(23)19(22,2)3)21-17(27-11)12-7-14(24-4)16-15(8-12)25-10-26-16/h7-8H,5-6,9-10H2,1-4H3,(H,20,23)/p+1