3-[2-carboxyethyl-[2-[3-(carboxymethyl)-2-heptyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-[2-[3-(carboxymethyl)-2-heptyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-[2-[3-(carboxymethyl)-2-heptyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]amino]propanoic acid CAS Name: 3-[2-carboxyethyl-[2-[3-(carboxymethyl)-2-heptyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-[2-[3-(carboxymethyl)-2-heptyl-4,5-dihydroimidazol-3-ium-1-yl]ethyl]amino]propanoic acid Traditional Name: 3-[2-carboxyethyl-[2-[3-(carboxymethyl)-2-heptyl-2-imidazolin-3-ium-1-yl]ethyl]amino]propionic acid Formula: C20H36N3O6+ MolecularWeight: 414.51634

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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)/p+1