2-[(2-acetamidoethylazaniumyl)methyl]-4,6-bis(chloranyl)phenolate

Systemtic Name: 2-[(2-acetamidoethylazaniumyl)methyl]-4,6-bis(chloranyl)phenolate Openeye Name: 2-[(2-acetamidoethylammonio)methyl]-4,6-dichloro-phenolate CAS Name: 2-[(2-acetamidoethylammonio)methyl]-4,6-dichlorophenolate IUPAC Name: 2-[(2-acetamidoethylazaniumyl)methyl]-4,6-dichlorophenolate Traditional Name: 2-[(2-acetamidoethylammonio)methyl]-4,6-dichloro-phenolate Formula: C11H14Cl2N2O2 MolecularWeight: 277.14706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

InChI

InChI=1S/C11H14Cl2N2O2/c1-7(16)15-3-2-14-6-8-4-9(12)5-10(13)11(8)17/h4-5,14,17H,2-3,6H2,1H3,(H,15,16)