2-[2-[3-(12-cyclohexyldodecoxy)-2-(2-oxidanylidenepropoxy)propoxy]ethoxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[2-[3-(12-cyclohexyldodecoxy)-2-(2-oxidanylidenepropoxy)propoxy]ethoxy]ethyl-trimethyl-azanium Openeye Name: 2-[2-[2-acetonyloxy-3-(12-cyclohexyldodecoxy)propoxy]ethoxy]ethyl-trimethyl-ammonium CAS Name: 2-[2-[3-(12-cyclohexyldodecoxy)-2-(2-oxopropoxy)propoxy]ethoxy]ethyl-trimethylammonium IUPAC Name: 2-[2-[3-(12-cyclohexyldodecoxy)-2-(2-oxopropoxy)propoxy]ethoxy]ethyl-trimethylazanium Traditional Name: 2-[2-[2-acetonyloxy-3-(12-cyclohexyldodecoxy)propoxy]ethoxy]ethyl-trimethyl-ammonium Formula: C31H62NO5+ MolecularWeight: 528.82768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(COCCCCCCCCCCCCC1CCCCC1)COCCOCC[N+](C)(C)C

Isomeric SMILES

CC(=O)COC(COCCCCCCCCCCCCC1CCCCC1)COCCOCC[N+](C)(C)C

InChI

InChI=1S/C31H62NO5/c1-29(33)26-37-31(28-36-25-24-34-23-21-32(2,3)4)27-35-22-17-12-10-8-6-5-7-9-11-14-18-30-19-15-13-16-20-30/h30-31H,5-28H2,1-4H3/q+1