(2,3-dimethyl-3-octadecanoyl-2-oxidanyl-4-oxidanylidene-henicosyl)azanium

Systemtic Name: (2,3-dimethyl-3-octadecanoyl-2-oxidanyl-4-oxidanylidene-henicosyl)azanium Openeye Name: (2-hydroxy-2,3-dimethyl-3-octadecanoyl-4-oxo-henicosyl)ammonium CAS Name: [2-hydroxy-2,3-dimethyl-4-oxo-3-(1-oxooctadecyl)heneicosyl]ammonium IUPAC Name: (2-hydroxy-2,3-dimethyl-3-octadecanoyl-4-oxohenicosyl)azanium Traditional Name: (2-hydroxy-4-keto-2,3-dimethyl-3-stearoyl-heneicosyl)ammonium Formula: C41H82NO3+ MolecularWeight: 637.09468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C[NH3+])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C)(C(=O)CCCCCCCCCCCCCCCCC)C(C)(C[NH3+])O

InChI

InChI=1S/C41H81NO3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(43)41(4,40(3,45)37-42)39(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h45H,5-37,42H2,1-4H3/p+1