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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: (2-ethoxybenzyl)-homopiperonyl-(3,4,5-trimethoxybenzyl)ammonium Formula: C28H34NO6+ MolecularWeight: 480.57266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C28H33NO6/c1-5-33-23-9-7-6-8-22(23)18-29(13-12-20-10-11-24-25(14-20)35-19-34-24)17-21-15-26(30-2)28(32-4)27(16-21)31-3/h6-11,14-16H,5,12-13,17-19H2,1-4H3/p+1