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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(3-methoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(3-methoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(3-methoxyphenyl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-homopiperonyl-m-anisyl-ammonium Formula: C26H30NO4+ MolecularWeight: 420.5207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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