bis(2-hydroxyethyl)azanium; (E)-3-(4-butyl-5-oxidanylidene-4-propyl-1H-imidazol-2-yl)-2-ethyl-hex-2-enoate

Systemtic Name: bis(2-hydroxyethyl)azanium; (E)-3-(4-butyl-5-oxidanylidene-4-propyl-1H-imidazol-2-yl)-2-ethyl-hex-2-enoate Openeye Name: bis(2-hydroxyethyl)ammonium; (E)-3-(4-butyl-5-oxo-4-propyl-1H-imidazol-2-yl)-2-ethyl-hex-2-enoate CAS Name: bis(2-hydroxyethyl)ammonium; (E)-3-(4-butyl-5-oxo-4-propyl-1H-imidazol-2-yl)-2-ethyl-2-hexenoate IUPAC Name: bis(2-hydroxyethyl)azanium; (E)-3-(4-butyl-5-oxo-4-propyl-1H-imidazol-2-yl)-2-ethylhex-2-enoate Traditional Name: bis(2-hydroxyethyl)ammonium; (E)-3-(4-butyl-5-keto-4-propyl-2-imidazolin-2-yl)-2-ethyl-hex-2-enoate Formula: C22H41N3O5 MolecularWeight: 427.57804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=N1)C(=C(CC)C(=O)[O-])CCC)CCC.C(CO)[NH2+]CCO

Isomeric SMILES

CCCCC1(C(=O)NC(=N1)/C(=C(\CC)/C(=O)[O-])/CCC)CCC.C(CO)[NH2+]CCO

InChI

InChI=1S/C18H30N2O3.C4H11NO2/c1-5-9-12-18(11-7-3)17(23)19-15(20-18)14(10-6-2)13(8-4)16(21)22;6-3-1-5-2-4-7/h5-12H2,1-4H3,(H,21,22)(H,19,20,23);5-7H,1-4H2/b14-13+;