1,3-benzodioxol-5-ylmethyl-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-bromo-4,5-dimethoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]azanium Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-piperonyl-ammonium Formula: C17H19BrNO4+ MolecularWeight: 381.24106

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4/c1-20-15-6-12(13(18)7-16(15)21-2)9-19-8-11-3-4-14-17(5-11)23-10-22-14/h3-7,19H,8-10H2,1-2H3/p+1