bis(2-hydroxyethyl)azanium; (E)-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate

Systemtic Name: bis(2-hydroxyethyl)azanium; (E)-2-methyl-3-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate Openeye Name: bis(2-hydroxyethyl)ammonium; (E)-3-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-2-methyl-but-2-enoate CAS Name: bis(2-hydroxyethyl)ammonium; (E)-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-2-butenoate IUPAC Name: bis(2-hydroxyethyl)azanium; (E)-2-methyl-3-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)but-2-enoate Traditional Name: bis(2-hydroxyethyl)ammonium; (E)-3-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-2-methyl-but-2-enoate Formula: C16H29N3O5 MolecularWeight: 343.41856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C(=C(C)C(=O)[O-])C)C.C(CO)[NH2+]CCO

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)/C(=C(\C)/C(=O)[O-])/C)C.C(CO)[NH2+]CCO

InChI

InChI=1S/C12H18N2O3.C4H11NO2/c1-6(2)12(5)11(17)13-9(14-12)7(3)8(4)10(15)16;6-3-1-5-2-4-7/h6H,1-5H3,(H,15,16)(H,13,14,17);5-7H,1-4H2/b8-7+;