1,3-benzodioxol-5-ylmethyl-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]-piperonyl-ammonium Formula: C22H22ClN2O4+ MolecularWeight: 413.87408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CN=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-26-20-8-15(2-5-18(20)27-13-17-4-7-22(23)25-12-17)10-24-11-16-3-6-19-21(9-16)29-14-28-19/h2-9,12,24H,10-11,13-14H2,1H3/p+1