[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-ethyl-azanium

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-ethyl-azanium Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]-ethyl-ammonium CAS Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-ethylammonium IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-ethylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-ethyl-ammonium Formula: C23H26ClN2O4+ MolecularWeight: 429.91654

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NC3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NC3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C23H25ClN2O4/c1-4-26(14-21(27)25-19-12-16(24)11-10-15(19)3)13-18-17-8-6-7-9-20(17)30-22(18)23(28)29-5-2/h6-12H,4-5,13-14H2,1-3H3,(H,25,27)/p+1