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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-piperonyl-ammonium Formula: C19H21BrNO4+ MolecularWeight: 407.27834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-3-6-23-19-15(20)7-14(9-18(19)22-2)11-21-10-13-4-5-16-17(8-13)25-12-24-16/h3-5,7-9,21H,1,6,10-12H2,2H3/p+1