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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (4-ethoxybenzyl)-piperonyl-(4-pyridylmethyl)ammonium Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24N2O3/c1-2-26-21-6-3-18(4-7-21)14-25(15-19-9-11-24-12-10-19)16-20-5-8-22-23(13-20)28-17-27-22/h3-13H,2,14-17H2,1H3/p+1