1,3-benzodioxol-5-ylmethyl-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4,5-diethoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4,5-diethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4,5-diethoxyphenyl)methyl]azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-piperonyl-ammonium Formula: C19H23BrNO4+ MolecularWeight: 409.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Br)OCC

InChI

InChI=1S/C19H22BrNO4/c1-3-22-18-9-14(7-15(20)19(18)23-4-2)11-21-10-13-5-6-16-17(8-13)25-12-24-16/h5-9,21H,3-4,10-12H2,1-2H3/p+1