6-(dodecanoylamino)-2-(11-pyridin-1-ium-1-ylundecanoylamino)hexanoic acid

Systemtic Name: 6-(dodecanoylamino)-2-(11-pyridin-1-ium-1-ylundecanoylamino)hexanoic acid Openeye Name: 6-(dodecanoylamino)-2-(11-pyridin-1-ium-1-ylundecanoylamino)hexanoic acid CAS Name: 6-(1-oxododecylamino)-2-[[1-oxo-11-(1-pyridin-1-iumyl)undecyl]amino]hexanoic acid IUPAC Name: 6-(dodecanoylamino)-2-(11-pyridin-1-ium-1-ylundecanoylamino)hexanoic acid Traditional Name: 6-(lauroylamino)-2-(11-pyridin-1-ium-1-ylundecanoylamino)hexanoic acid Formula: C34H60N3O4+ MolecularWeight: 574.8579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCCCCCCCCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCCCCCCCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C34H59N3O4/c1-2-3-4-5-6-7-10-13-17-25-32(38)35-27-20-19-24-31(34(40)41)36-33(39)26-18-14-11-8-9-12-15-21-28-37-29-22-16-23-30-37/h16,22-23,29-31H,2-15,17-21,24-28H2,1H3,(H2-,35,36,38,39,40,41)/p+1