bis(carboxymethyl)-[1-(dodecanoylamino)propyl]-(1-hydroxyethyl)azanium

Systemtic Name: bis(carboxymethyl)-[1-(dodecanoylamino)propyl]-(1-hydroxyethyl)azanium Openeye Name: bis(carboxymethyl)-[1-(dodecanoylamino)propyl]-(1-hydroxyethyl)ammonium CAS Name: bis(carboxymethyl)-(1-hydroxyethyl)-[1-(1-oxododecylamino)propyl]ammonium IUPAC Name: bis(carboxymethyl)-[1-(dodecanoylamino)propyl]-(1-hydroxyethyl)azanium Traditional Name: bis(carboxymethyl)-(1-hydroxyethyl)-[1-(lauroylamino)propyl]ammonium Formula: C21H41N2O6+ MolecularWeight: 417.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC)[N+](CC(=O)O)(CC(=O)O)C(C)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC)[N+](CC(=O)O)(CC(=O)O)C(C)O

InChI

InChI=1S/C21H40N2O6/c1-4-6-7-8-9-10-11-12-13-14-19(25)22-18(5-2)23(17(3)24,15-20(26)27)16-21(28)29/h17-18,24H,4-16H2,1-3H3,(H2-,22,25,26,27,28,29)/p+1