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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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