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

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+](C)CC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+](C)CC(=O)NC3CC3

InChI

InChI=1S/C18H21BrN2O4/c1-3-24-18(23)17-14(13-8-11(19)4-7-15(13)25-17)9-21(2)10-16(22)20-12-5-6-12/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H,20,22)/p+1