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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromanyl-4-methoxy-phenyl)methyl]-[(4-ethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromo-4-methoxy-phenyl)methyl]-[(4-ethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromo-4-methoxyphenyl)methyl]-[(4-ethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromo-4-methoxyphenyl)methyl]-[(4-ethoxyphenyl)methyl]azanium Traditional Name: (3-bromo-4-methoxy-benzyl)-(4-ethoxybenzyl)-homopiperonyl-ammonium Formula: C26H29BrNO4+ MolecularWeight: 499.41676

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO4/c1-3-30-22-8-4-20(5-9-22)16-28(17-21-7-10-24(29-2)23(27)14-21)13-12-19-6-11-25-26(15-19)32-18-31-25/h4-11,14-15H,3,12-13,16-18H2,1-2H3/p+1