1,3-benzodioxol-5-yl-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-(4-methyl-4-oxido-1-piperazin-4-iumyl)methanone IUPAC Name: 1,3-benzodioxol-5-yl-(4-methyl-4-oxidopiperazin-4-ium-1-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-(4-methyl-4-oxido-piperazin-4-ium-1-yl)methanone Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)[O-]

InChI

InChI=1S/C13H16N2O4/c1-15(17)6-4-14(5-7-15)13(16)10-2-3-11-12(8-10)19-9-18-11/h2-3,8H,4-7,9H2,1H3