trimethyl-[(2R)-2-(2-methylhexanoyloxy)-4-oxidanylidene-4-tridecoxy-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-(2-methylhexanoyloxy)-4-oxidanylidene-4-tridecoxy-butyl]azanium Openeye Name: trimethyl-[(2R)-2-(2-methylhexanoyloxy)-4-oxo-4-tridecoxy-butyl]ammonium CAS Name: trimethyl-[(2R)-2-(2-methyl-1-oxohexoxy)-4-oxo-4-tridecoxybutyl]ammonium IUPAC Name: trimethyl-[(2R)-2-(2-methylhexanoyloxy)-4-oxo-4-tridecoxybutyl]azanium Traditional Name: [(2R)-4-keto-2-(2-methylhexanoyloxy)-4-tridecoxy-butyl]-trimethyl-ammonium Formula: C27H54NO4+ MolecularWeight: 456.72196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)C(C)CCCC

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)C(C)CCCC

InChI

InChI=1S/C27H54NO4/c1-7-9-11-12-13-14-15-16-17-18-19-21-31-26(29)22-25(23-28(4,5)6)32-27(30)24(3)20-10-8-2/h24-25H,7-23H2,1-6H3/q+1/t24?,25-/m1/s1