[1-hexadecoxy-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-hexadecoxy-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[(2-benzyloxy-2-oxo-ethyl)amino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[(2-benzoxy-2-keto-ethyl)amino]methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H61N2O7P MolecularWeight: 628.820401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNCC(=O)OCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNCC(=O)OCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C33H61N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-39-30-32(42-43(37,38)41-26-24-35(2,3)4)27-34-28-33(36)40-29-31-22-19-18-20-23-31/h18-20,22-23,32,34H,5-17,21,24-30H2,1-4H3