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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromophenyl)methyl]-[(4-ethoxyphenyl)methyl]azanium Traditional Name: (3-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(=CC=C4)Br

Isomeric SMILES

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

InChI

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