2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]azanium Traditional Name: (4-bromobenzyl)-(4-ethoxybenzyl)-homopiperonyl-ammonium Formula: C25H27BrNO3+ MolecularWeight: 469.39078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrNO3/c1-2-28-23-10-5-21(6-11-23)17-27(16-20-3-8-22(26)9-4-20)14-13-19-7-12-24-25(15-19)30-18-29-24/h3-12,15H,2,13-14,16-18H2,1H3/p+1