butanedioate; 2-heptadecyl-1H-imidazol-1-ium

Systemtic Name: butanedioate; 2-heptadecyl-1H-imidazol-1-ium Openeye Name: butanedioate; 2-heptadecyl-1H-imidazol-1-ium CAS Name: butanedioate; 2-heptadecyl-1H-imidazol-1-ium IUPAC Name: butanedioate; 2-heptadecyl-1H-imidazol-1-ium Traditional Name: 2-heptadecyl-1H-imidazol-1-ium; succinate Formula: C44H82N4O4 MolecularWeight: 731.14628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C20H38N2.C4H6O4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;5-3(6)1-2-4(7)8/h2*18-19H,2-17H2,1H3,(H,21,22);1-2H2,(H,5,6)(H,7,8)