[1-hexadecoxy-3-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-hexadecoxy-3-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(benzylcarbamoylamino)methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(benzylcarbamoylamino)-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(benzylcarbamoylamino)methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C32H60N3O6P MolecularWeight: 613.809061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)NCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)NCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C32H60N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-39-29-31(41-42(37,38)40-26-24-35(2,3)4)28-34-32(36)33-27-30-22-19-18-20-23-30/h18-20,22-23,31H,5-17,21,24-29H2,1-4H3,(H2-,33,34,36,37,38)