4-methyl-2-undecyl-1H-imidazol-1-ium; octadecanoate

Systemtic Name: 4-methyl-2-undecyl-1H-imidazol-1-ium; octadecanoate Openeye Name: 4-methyl-2-undecyl-1H-imidazol-1-ium; octadecanoate CAS Name: 4-methyl-2-undecyl-1H-imidazol-1-ium; octadecanoate IUPAC Name: 4-methyl-2-undecyl-1H-imidazol-1-ium; octadecanoate Traditional Name: 4-methyl-2-undecyl-1H-imidazol-1-ium; stearate Formula: C33H64N2O2 MolecularWeight: 520.87346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC1=NC(=C[NH2+]1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC1=NC(=C[NH2+]1)C

InChI

InChI=1S/C18H36O2.C15H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-5-6-7-8-9-10-11-12-15-16-13-14(2)17-15/h2-17H2,1H3,(H,19,20);13H,3-12H2,1-2H3,(H,16,17)