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

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC(C)C

InChI

InChI=1S/C18H24N2O4/c1-5-23-18(22)17-14(13-8-6-7-9-15(13)24-17)10-20(4)11-16(21)19-12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)/p+1