1,3-benzodioxol-5-ylmethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-methyl-piperonyl-ammonium Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5/c1-3-24-21(23)20-16(15-6-4-5-7-17(15)27-20)12-22(2)11-14-8-9-18-19(10-14)26-13-25-18/h4-10H,3,11-13H2,1-2H3/p+1