1,3-benzodioxol-5-ylmethyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: [4-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]-piperonyl-ammonium Formula: C24H25ClNO4+ MolecularWeight: 426.9126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C24H24ClNO4/c1-2-27-23-11-17(7-9-21(23)28-15-19-5-3-4-6-20(19)25)13-26-14-18-8-10-22-24(12-18)30-16-29-22/h3-12,26H,2,13-16H2,1H3/p+1