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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-4-ethoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-4-ethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dibromo-4-ethoxyphenyl)methyl]azanium Traditional Name: (3,5-dibromo-4-ethoxy-benzyl)-piperonyl-ammonium Formula: C17H18Br2NO3+ MolecularWeight: 444.13772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C17H17Br2NO3/c1-2-21-17-13(18)5-12(6-14(17)19)9-20-8-11-3-4-15-16(7-11)23-10-22-15/h3-7,20H,2,8-10H2,1H3/p+1