2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetate CAS Name: 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetate IUPAC Name: 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetate Traditional Name: 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-2-imidazolin-1-ium-1-yl]acetate Formula: C20H35N3O6 MolecularWeight: 413.5084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=[N+](CCN1CCN(CCC(=O)O)CCC(=O)O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCC1=[N+](CCN1CCN(CCC(=O)O)CCC(=O)O)CC(=O)[O-]

InChI

InChI=1S/C20H35N3O6/c1-2-3-4-5-6-7-17-22(14-15-23(17)16-20(28)29)13-12-21(10-8-18(24)25)11-9-19(26)27/h2-16H2,1H3,(H2-,24,25,26,27,28,29)