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

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NC(C)C

InChI

InChI=1S/C19H26N2O4/c1-5-21(12-17(22)20-13(3)4)11-15-14-9-7-8-10-16(14)25-18(15)19(23)24-6-2/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,22)/p+1