4-(hexadecanoylamino)-3-[1-(hexadecanoylamino)propyl]-2-(trimethylazaniumyl)hexanoate

Systemtic Name: 4-(hexadecanoylamino)-3-[1-(hexadecanoylamino)propyl]-2-(trimethylazaniumyl)hexanoate Openeye Name: 4-(hexadecanoylamino)-3-[1-(hexadecanoylamino)propyl]-2-(trimethylammonio)hexanoate CAS Name: 4-(1-oxohexadecylamino)-3-[1-(1-oxohexadecylamino)propyl]-2-(trimethylammonio)hexanoate IUPAC Name: 4-(hexadecanoylamino)-3-[1-(hexadecanoylamino)propyl]-2-(trimethylazaniumyl)hexanoate Traditional Name: 4-palmitamido-3-(1-palmitamidopropyl)-2-(trimethylammonio)hexanoate Formula: C44H87N3O4 MolecularWeight: 722.17928

Click to see the large picture

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)