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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(5-methoxy-2-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(2-hydroxy-5-methoxy-phenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(2-hydroxy-5-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-ethoxyphenyl)methyl]-[(2-hydroxy-5-methoxyphenyl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-homopiperonyl-(2-hydroxy-5-methoxy-benzyl)ammonium Formula: C26H30NO5+ MolecularWeight: 436.5201

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=C(C=CC(=C4)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5/c1-3-30-22-7-4-20(5-8-22)16-27(17-21-15-23(29-2)9-10-24(21)28)13-12-19-6-11-25-26(14-19)32-18-31-25/h4-11,14-15,28H,3,12-13,16-18H2,1-2H3/p+1