[4-carboxy-1,7-bis(hexadecanoylamino)heptan-4-yl]-[4-(hexadecanoylamino)butyl]-dimethyl-azanium

Systemtic Name: [4-carboxy-1,7-bis(hexadecanoylamino)heptan-4-yl]-[4-(hexadecanoylamino)butyl]-dimethyl-azanium Openeye Name: [1-carboxy-4-(hexadecanoylamino)-1-[3-(hexadecanoylamino)propyl]butyl]-[4-(hexadecanoylamino)butyl]-dimethyl-ammonium CAS Name: [4-carboxy-1,7-bis(1-oxohexadecylamino)heptan-4-yl]-dimethyl-[4-(1-oxohexadecylamino)butyl]ammonium IUPAC Name: [4-carboxy-1,7-bis(hexadecanoylamino)heptan-4-yl]-[4-(hexadecanoylamino)butyl]-dimethylazanium Traditional Name: [1-carboxy-4-palmitamido-1-(3-palmitamidopropyl)butyl]-dimethyl-(4-palmitamidobutyl)ammonium Formula: C62H123N4O5+ MolecularWeight: 1004.66382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCCC[N+](C)(C)C(CCCNC(=O)CCCCCCCCCCCCCCC)(CCCNC(=O)CCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCCC[N+](C)(C)C(CCCNC(=O)CCCCCCCCCCCCCCC)(CCCNC(=O)CCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C62H122N4O5/c1-6-9-12-15-18-21-24-27-30-33-36-39-42-49-58(67)63-54-45-46-57-66(4,5)62(61(70)71,52-47-55-64-59(68)50-43-40-37-34-31-28-25-22-19-16-13-10-7-2)53-48-56-65-60(69)51-44-41-38-35-32-29-26-23-20-17-14-11-8-3/h6-57H2,1-5H3,(H3-,63,64,65,67,68,69,70,71)/p+1