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

Systemtic Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium CAS Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (6-ethoxy-1,3-benzodioxol-5-yl)methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-2-22-16-9-18-17(23-13-24-18)8-15(16)12-20(6-7-21)11-14-4-3-5-19-10-14/h3-5,8-10,21H,2,6-7,11-13H2,1H3/p+1