1,3-benzodioxol-5-ylmethyl-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-2-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-2-methoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-2-methoxyphenyl)methyl]azanium Traditional Name: (3,5-dibromo-2-methoxy-benzyl)-piperonyl-ammonium Formula: C16H16Br2NO3+ MolecularWeight: 430.11114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C[NH2+]CC2=CC3=C(C=C2)OCO3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C[NH2+]CC2=CC3=C(C=C2)OCO3)Br)Br

InChI

InChI=1S/C16H15Br2NO3/c1-20-16-11(5-12(17)6-13(16)18)8-19-7-10-2-3-14-15(4-10)22-9-21-14/h2-6,19H,7-9H2,1H3/p+1