(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C18H24BrN2O4+ MolecularWeight: 412.29816

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC

InChI

InChI=1S/C18H23BrN2O4/c1-4-8-20-16(22)11-21(3)10-14-13-9-12(19)6-7-15(13)25-17(14)18(23)24-5-2/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,20,22)/p+1