1,3-benzodioxol-5-ylmethyl-(pyridin-4-ylmethyl)-[(2,3,4-trimethoxyphenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(pyridin-4-ylmethyl)-[(2,3,4-trimethoxyphenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-(4-pyridylmethyl)-[(2,3,4-trimethoxyphenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-(pyridin-4-ylmethyl)-[(2,3,4-trimethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(pyridin-4-ylmethyl)-[(2,3,4-trimethoxyphenyl)methyl]azanium Traditional Name: piperonyl-(4-pyridylmethyl)-(2,3,4-trimethoxybenzyl)ammonium Formula: C24H27N2O5+ MolecularWeight: 423.48158

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5/c1-27-21-7-5-19(23(28-2)24(21)29-3)15-26(13-17-8-10-25-11-9-17)14-18-4-6-20-22(12-18)31-16-30-20/h4-12H,13-16H2,1-3H3/p+1