(2,3-dimethoxyphenyl)methyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-methyl-o-veratryl-ammonium Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-5-27-22(24)21-17(16-10-6-7-11-18(16)28-21)14-23(2)13-15-9-8-12-19(25-3)20(15)26-4/h6-12H,5,13-14H2,1-4H3/p+1