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1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]azanium

1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]azanium
Traditional Name:2-(4-hydroxyphenyl)ethyl-piperonyl-ammonium
Formula: C16H18NO3+
MolecularWeight: 272.31902
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC3=CC=C(C=C3)O


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC3=CC=C(C=C3)O


InChI

InChI=1S/C16H17NO3/c18-14-4-1-12(2-5-14)7-8-17-10-13-3-6-15-16(9-13)20-11-19-15/h1-6,9,17-18H,7-8,10-11H2/p+1


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