(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-(2-keto-2-mesidino-ethyl)-methyl-ammonium Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C24H28N2O4/c1-6-29-24(28)23-19(18-9-7-8-10-20(18)30-23)13-26(5)14-21(27)25-22-16(3)11-15(2)12-17(22)4/h7-12H,6,13-14H2,1-5H3,(H,25,27)/p+1