(4-ethoxyphenyl)methyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (4-ethoxyphenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylammonium IUPAC Name: (4-ethoxyphenyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylazanium Traditional Name: (4-ethoxybenzyl)-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium Formula: C18H22NO4+ MolecularWeight: 316.37158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C18H21NO4/c1-3-21-15-6-4-13(5-7-15)10-19(2)11-14-8-17-18(9-16(14)20)23-12-22-17/h4-9,20H,3,10-12H2,1-2H3/p+1