(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl-(2-furylmethyl)-methyl-ammonium CAS Name: (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl-(2-furanylmethyl)-methylammonium IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl-(2-furfuryl)-methyl-ammonium Formula: C18H19BrNO4+ MolecularWeight: 393.25176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C18H18BrNO4/c1-3-22-18(21)17-15(11-20(2)10-13-5-4-8-23-13)14-9-12(19)6-7-16(14)24-17/h4-9H,3,10-11H2,1-2H3/p+1