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

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

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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)NC(C)C

Isomeric SMILES

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

InChI

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