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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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