trimethyl-(2-octadecanoyl-3-oxidanylidene-2-phosphonooxy-icosyl)azanium

Systemtic Name: trimethyl-(2-octadecanoyl-3-oxidanylidene-2-phosphonooxy-icosyl)azanium Openeye Name: trimethyl-(2-octadecanoyl-3-oxo-2-phosphonooxy-icosyl)ammonium CAS Name: trimethyl-[3-oxo-2-(1-oxooctadecyl)-2-phosphonooxyeicosyl]ammonium IUPAC Name: trimethyl-(2-octadecanoyl-3-oxo-2-phosphonooxyicosyl)azanium Traditional Name: (3-keto-2-phosphonooxy-2-stearoyl-eicosyl)-trimethyl-ammonium Formula: C41H83NO6P+ MolecularWeight: 717.074581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCCCC)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCCCC)OP(=O)(O)O

InChI

InChI=1S/C41H82NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(43)41(38-42(3,4)5,48-49(45,46)47)40(44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h6-38H2,1-5H3,(H-,45,46,47)/p+1