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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-ethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-ethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-ethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-(1,3-benzodioxol-5-ylmethyl)-[(4-ethoxyphenyl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-homopiperonyl-piperonyl-ammonium Formula: C26H28NO5+ MolecularWeight: 434.50422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27NO5/c1-2-28-22-7-3-20(4-8-22)15-27(16-21-6-10-24-26(14-21)32-18-30-24)12-11-19-5-9-23-25(13-19)31-17-29-23/h3-10,13-14H,2,11-12,15-18H2,1H3/p+1