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2-(1,3-benzodioxol-5-yl)ethyl-[(2,3-dimethoxyphenyl)methyl]azanium

2-(1,3-benzodioxol-5-yl)ethyl-[(2,3-dimethoxyphenyl)methyl]azanium

Systemtic Name:2-(1,3-benzodioxol-5-yl)ethyl-[(2,3-dimethoxyphenyl)methyl]azanium
Openeye Name:2-(1,3-benzodioxol-5-yl)ethyl-[(2,3-dimethoxyphenyl)methyl]ammonium
CAS Name:2-(1,3-benzodioxol-5-yl)ethyl-[(2,3-dimethoxyphenyl)methyl]ammonium
IUPAC Name:2-(1,3-benzodioxol-5-yl)ethyl-[(2,3-dimethoxyphenyl)methyl]azanium
Traditional Name:homopiperonyl(o-veratryl)ammonium
Formula: C18H22NO4+
MolecularWeight: 316.37158
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH2+]CCC2=CC3=C(C=C2)OCO3


Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH2+]CCC2=CC3=C(C=C2)OCO3


InChI

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


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