1-ethyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium; phthalate

Systemtic Name: 1-ethyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium; phthalate Openeye Name: 1-ethyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium; phthalate CAS Name: 1-ethyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium; phthalate IUPAC Name: 1-ethyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium; phthalate Traditional Name: 1-ethyl-2,3-dimethyl-2-imidazolin-3-ium; phthalate Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](=C1C)C.CCN1CC[N+](=C1C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN1CC[N+](=C1C)C.CCN1CC[N+](=C1C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O4.2C7H15N2/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-4-9-6-5-8(3)7(9)2/h1-4H,(H,9,10)(H,11,12);2*4-6H2,1-3H3/q;2*+1/p-2