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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]-[(2-ethoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]-[(2-ethoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]-[(2-ethoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(3,4-dimethoxyphenyl)methyl]-[(2-ethoxyphenyl)methyl]azanium Traditional Name: (2-ethoxybenzyl)-homopiperonyl-veratryl-ammonium Formula: C27H32NO5+ MolecularWeight: 450.54668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5/c1-4-31-23-8-6-5-7-22(23)18-28(17-21-10-11-24(29-2)26(16-21)30-3)14-13-20-9-12-25-27(15-20)33-19-32-25/h5-12,15-16H,4,13-14,17-19H2,1-3H3/p+1