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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium Traditional Name: (2-hydroxy-1,1-dimethylol-ethyl)-piperonyl-ammonium Formula: C12H18NO5+ MolecularWeight: 256.27502

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]C(CO)(CO)CO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C(CO)(CO)CO

InChI

InChI=1S/C12H17NO5/c14-5-12(6-15,7-16)13-4-9-1-2-10-11(3-9)18-8-17-10/h1-3,13-16H,4-8H2/p+1