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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromanyl-4-methoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-methoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-4-methoxyphenyl)methyl]azanium Traditional Name: (3-bromo-4-methoxy-benzyl)-piperonyl-ammonium Formula: C16H17BrNO3+ MolecularWeight: 351.21508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3/c1-19-14-4-2-11(6-13(14)17)8-18-9-12-3-5-15-16(7-12)21-10-20-15/h2-7,18H,8-10H2,1H3/p+1