1,3-benzodioxol-5-ylmethyl-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-(1,3-dihydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(1,3-dihydroxy-2-methylpropan-2-yl)azanium Traditional Name: (2-hydroxy-1-methyl-1-methylol-ethyl)-piperonyl-ammonium Formula: C12H18NO4+ MolecularWeight: 240.27562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(CO)(CO)[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H17NO4/c1-12(6-14,7-15)13-5-9-2-3-10-11(4-9)17-8-16-10/h2-4,13-15H,5-8H2,1H3/p+1