(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-[(2-ethyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (2-acetamido-2-carbethoxy-3-ethoxy-3-keto-propyl)-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C22H31N2O6+ MolecularWeight: 419.49134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H30N2O6/c1-6-18-17(16-11-9-10-12-19(16)30-18)13-24(5)14-22(23-15(4)25,20(26)28-7-2)21(27)29-8-3/h9-12H,6-8,13-14H2,1-5H3,(H,23,25)/p+1