[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate; diethylazanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate; diethylazanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate; diethylammonium CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester; diethylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate; diethylazanium Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester; diethylammonium Formula: C23H33Br2N2O4+ MolecularWeight: 561.32712

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC(=C4O)Br)Br

Isomeric SMILES

CC[NH2+]CC.C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC(=C4O)Br)Br

InChI

InChI=1S/C19H21Br2NO4.C4H11N/c20-13-4-14(17(24)15(21)5-13)18(25)26-9-16(23)22-19-6-10-1-11(7-19)3-12(2-10)8-19;1-3-5-4-2/h4-5,10-12,24H,1-3,6-9H2,(H,22,23);5H,3-4H2,1-2H3/p+1