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

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

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium
Traditional Name:homoveratryl(piperonyl)ammonium
Formula: C18H22NO4+
MolecularWeight: 316.37158
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H21NO4/c1-20-15-5-3-13(9-17(15)21-2)7-8-19-11-14-4-6-16-18(10-14)23-12-22-16/h3-6,9-10,19H,7-8,11-12H2,1-2H3/p+1


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