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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-bromo-4,5-dimethoxy-phenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]azanium Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-homopiperonyl-ammonium Formula: C18H21BrNO4+ MolecularWeight: 395.26764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3)Br)OC

InChI

InChI=1S/C18H20BrNO4/c1-21-16-8-13(14(19)9-17(16)22-2)10-20-6-5-12-3-4-15-18(7-12)24-11-23-15/h3-4,7-9,20H,5-6,10-11H2,1-2H3/p+1