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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromanyl-4-ethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-ethoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-ethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-ethoxyphenyl)methyl]azanium Traditional Name: (3-bromo-4-ethoxy-benzyl)-piperonyl-ammonium Formula: C17H19BrNO3+ MolecularWeight: 365.24166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO3/c1-2-20-15-5-3-12(7-14(15)18)9-19-10-13-4-6-16-17(8-13)22-11-21-16/h3-8,19H,2,9-11H2,1H3/p+1