2-[octadecyl-[(phenylmethyl)carbamoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2-[octadecyl-[(phenylmethyl)carbamoyl]amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2-[benzylcarbamoyl(octadecyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2-[octadecyl-[oxo-[(phenylmethyl)amino]methyl]amino]ethyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2-[benzylcarbamoyl(octadecyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2-[benzylcarbamoyl(stearyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate Formula: C33H62N3O5P MolecularWeight: 611.836241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C33H62N3O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-35(33(37)34-31-32-24-21-20-22-25-32)27-29-40-42(38,39)41-30-28-36(2,3)4/h20-22,24-25H,5-19,23,26-31H2,1-4H3,(H-,34,37,38,39)