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

Systemtic Name: dodecanoate; 4-methyl-2-undecyl-1H-imidazol-1-ium Openeye Name: dodecanoate; 4-methyl-2-undecyl-1H-imidazol-1-ium CAS Name: dodecanoate; 4-methyl-2-undecyl-1H-imidazol-1-ium IUPAC Name: dodecanoate; 4-methyl-2-undecyl-1H-imidazol-1-ium Traditional Name: laurate; 4-methyl-2-undecyl-1H-imidazol-1-ium Formula: C27H52N2O2 MolecularWeight: 436.71398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N2.C12H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-16-13-14(2)17-15;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h13H,3-12H2,1-2H3,(H,16,17);2-11H2,1H3,(H,13,14)