[4-(hexadecanoylamino)-3-[1-(hexadecanoylamino)propyl]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-trimethyl-azanium

Systemtic Name: [4-(hexadecanoylamino)-3-[1-(hexadecanoylamino)propyl]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]-trimethyl-azanium Openeye Name: [1-carboxy-3-(hexadecanoylamino)-2-[1-(hexadecanoylamino)propyl]pentyl]-trimethyl-ammonium CAS Name: [1-hydroxy-1-oxo-4-(1-oxohexadecylamino)-3-[1-(1-oxohexadecylamino)propyl]hexan-2-yl]-trimethylammonium IUPAC Name: [4-(hexadecanoylamino)-3-[1-(hexadecanoylamino)propyl]-1-hydroxy-1-oxohexan-2-yl]-trimethylazanium Traditional Name: [1-carboxy-3-palmitamido-2-(1-palmitamidopropyl)pentyl]-trimethyl-ammonium Formula: C44H88N3O4+ MolecularWeight: 723.18722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC)C(C(CC)NC(=O)CCCCCCCCCCCCCCC)C(C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CC)C(C(CC)NC(=O)CCCCCCCCCCCCCCC)C(C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C44H87N3O4/c1-8-12-14-16-18-20-22-24-26-28-30-32-34-36-40(48)45-38(10-3)42(43(44(50)51)47(5,6)7)39(11-4)46-41(49)37-35-33-31-29-27-25-23-21-19-17-15-13-9-2/h38-39,42-43H,8-37H2,1-7H3,(H2-,45,46,48,49,50,51)/p+1