(6-ethoxy-1,3-benzodioxol-5-yl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-furylmethyl)-(3-pyridylmethyl)ammonium CAS Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-furanylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(furan-2-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-furfuryl)-(3-pyridylmethyl)ammonium Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C[NH+](CC3=CN=CC=C3)CC4=CC=CO4)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C[NH+](CC3=CN=CC=C3)CC4=CC=CO4)OCO2

InChI

InChI=1S/C21H22N2O4/c1-2-24-19-10-21-20(26-15-27-21)9-17(19)13-23(14-18-6-4-8-25-18)12-16-5-3-7-22-11-16/h3-11H,2,12-15H2,1H3/p+1