2-[aminocarbonyl-(3-ethyl-16-methyl-heptadecyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2-[aminocarbonyl-(3-ethyl-16-methyl-heptadecyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2-[carbamoyl-(3-ethyl-16-methyl-heptadecyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2-[carbamoyl-(3-ethyl-16-methylheptadecyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2-[carbamoyl-(3-ethyl-16-methylheptadecyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2-[carbamoyl-(3-ethyl-16-methyl-heptadecyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate Formula: C28H60N3O5P MolecularWeight: 549.766861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCCCCC(C)C)CCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)N

Isomeric SMILES

CCC(CCCCCCCCCCCCC(C)C)CCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)N

InChI

InChI=1S/C28H60N3O5P/c1-7-27(19-17-15-13-11-9-8-10-12-14-16-18-26(2)3)20-21-30(28(29)32)22-24-35-37(33,34)36-25-23-31(4,5)6/h26-27H,7-25H2,1-6H3,(H2-,29,32,33,34)