2-(4-chloranylphenoxy)ethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium Formula: C21H23ClNO4+ MolecularWeight: 388.86462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4/c1-3-25-21(24)20-18(17-6-4-5-7-19(17)27-20)14-23(2)12-13-26-16-10-8-15(22)9-11-16/h4-11H,3,12-14H2,1-2H3/p+1