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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-(2-methylprop-2-enoxy)phenyl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[2-(2-methylallyloxy)phenyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-(2-methylprop-2-enoxy)phenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[2-(2-methylprop-2-enoxy)phenyl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(2-methylallyloxy)benzyl]-piperonyl-(4-pyridylmethyl)ammonium Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=CC=C1C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=C)COC1=CC=CC=C1C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N2O3/c1-19(2)17-28-23-6-4-3-5-22(23)16-27(14-20-9-11-26-12-10-20)15-21-7-8-24-25(13-21)30-18-29-24/h3-13H,1,14-18H2,2H3/p+1