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1,3-benzodioxol-5-ylmethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

1,3-benzodioxol-5-ylmethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium
Traditional Name:piperonyl(vanillyl)ammonium
Formula: C16H18NO4+
MolecularWeight: 288.31842
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)O


Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)O


InChI

InChI=1S/C16H17NO4/c1-19-15-6-11(2-4-13(15)18)8-17-9-12-3-5-14-16(7-12)21-10-20-14/h2-7,17-18H,8-10H2,1H3/p+1


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