2-heptyl-1,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; phthalate

Systemtic Name: 2-heptyl-1,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; phthalate Openeye Name: 2-heptyl-1,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; phthalate CAS Name: 2-heptyl-1,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; phthalate IUPAC Name: 2-heptyl-1,3-dimethyl-4,5-dihydro-1H-imidazole-1,3-diium; phthalate Traditional Name: 2-heptyl-1,3-dimethyl-2-imidazoline-1,3-diium; phthalate Formula: C32H56N4O4+2 MolecularWeight: 560.81144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=[N+](CC[NH+]1C)C.CCCCCCCC1=[N+](CC[NH+]1C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=[N+](CC[NH+]1C)C.CCCCCCCC1=[N+](CC[NH+]1C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

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