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

Systemtic Name: 2-heptan-3-yl-1,3-dimethyl-4,5-dihydroimidazol-1-ium; phthalate Openeye Name: 2-(1-ethylpentyl)-1,3-dimethyl-4,5-dihydroimidazol-1-ium; phthalate CAS Name: 2-heptan-3-yl-1,3-dimethyl-4,5-dihydroimidazol-1-ium; phthalate IUPAC Name: 2-heptan-3-yl-1,3-dimethyl-4,5-dihydroimidazol-1-ium; phthalate Traditional Name: 2-(1-ethylpentyl)-1,3-dimethyl-2-imidazolin-1-ium; phthalate Formula: C32H54N4O4 MolecularWeight: 558.79556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=[N+](CCN1C)C.CCCCC(CC)C1=[N+](CCN1C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CC)C1=[N+](CCN1C)C.CCCCC(CC)C1=[N+](CCN1C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C12H25N2.C8H6O4/c2*1-5-7-8-11(6-2)12-13(3)9-10-14(12)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*11H,5-10H2,1-4H3;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2