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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(2-methoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(2-methoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(2-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-ethoxyphenyl)methyl]-[(2-methoxyphenyl)methyl]azanium Traditional Name: (2-ethoxybenzyl)-homopiperonyl-o-anisyl-ammonium Formula: C26H30NO4+ MolecularWeight: 420.5207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4OC

InChI

InChI=1S/C26H29NO4/c1-3-29-24-11-7-5-9-22(24)18-27(17-21-8-4-6-10-23(21)28-2)15-14-20-12-13-25-26(16-20)31-19-30-25/h4-13,16H,3,14-15,17-19H2,1-2H3/p+1