1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3,4-dimethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: piperonyl-(4-pyridylmethyl)-veratryl-ammonium Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C23H24N2O4/c1-26-20-5-3-18(11-22(20)27-2)14-25(13-17-7-9-24-10-8-17)15-19-4-6-21-23(12-19)29-16-28-21/h3-12H,13-16H2,1-2H3/p+1