bis(2-hydroxyethyl)-(2-oxidanyl-3-phenoxy-propyl)azanium; (E)-4-[(4-bromophenyl)amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: bis(2-hydroxyethyl)-(2-oxidanyl-3-phenoxy-propyl)azanium; (E)-4-[(4-bromophenyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: bis(2-hydroxyethyl)-(2-hydroxy-3-phenoxy-propyl)ammonium; (E)-4-(4-bromoanilino)-4-oxo-but-2-enoate CAS Name: bis(2-hydroxyethyl)-(2-hydroxy-3-phenoxypropyl)ammonium; (E)-4-(4-bromoanilino)-4-oxo-2-butenoate IUPAC Name: bis(2-hydroxyethyl)-(2-hydroxy-3-phenoxypropyl)azanium; (E)-4-(4-bromoanilino)-4-oxobut-2-enoate Traditional Name: bis(2-hydroxyethyl)-(2-hydroxy-3-phenoxy-propyl)ammonium; (E)-4-(4-bromoanilino)-4-keto-but-2-enoate Formula: C23H29BrN2O7 MolecularWeight: 525.38956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH+](CCO)CCO)O.C1=CC(=CC=C1NC(=O)C=CC(=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)OCC(C[NH+](CCO)CCO)O.C1=CC(=CC=C1NC(=O)/C=C/C(=O)[O-])Br

InChI

InChI=1S/C13H21NO4.C10H8BrNO3/c15-8-6-14(7-9-16)10-12(17)11-18-13-4-2-1-3-5-13;11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-5,12,15-17H,6-11H2;1-6H,(H,12,13)(H,14,15)/b;6-5+