3-heptadecyl-1H-imidazol-3-ium; 2-(2-hydroxyethylamino)ethanoate

Systemtic Name: 3-heptadecyl-1H-imidazol-3-ium; 2-(2-hydroxyethylamino)ethanoate Openeye Name: 3-heptadecyl-1H-imidazol-3-ium; 2-(2-hydroxyethylamino)acetate CAS Name: 3-heptadecyl-1H-imidazol-3-ium; 2-(2-hydroxyethylamino)acetate IUPAC Name: 3-heptadecyl-1H-imidazol-3-ium; 2-(2-hydroxyethylamino)acetate Traditional Name: 3-heptadecyl-1H-imidazol-3-ium; 2-(2-hydroxyethylamino)acetate Formula: C24H47N3O3 MolecularWeight: 425.64828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC[N+]1=CNC=C1.C(CO)NCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC[N+]1=CNC=C1.C(CO)NCC(=O)[O-]

InChI

InChI=1S/C20H38N2.C4H9NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-21-20-22;6-2-1-5-3-4(7)8/h17,19-20H,2-16,18H2,1H3;5-6H,1-3H2,(H,7,8)