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

Systemtic Name: trimethyl-[(2R)-2-octanoyloxy-4-oxidanylidene-4-tridecoxy-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-2-octanoyloxy-4-oxo-4-tridecoxy-butyl]ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-(1-oxooctoxy)-4-tridecoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-octanoyloxy-4-oxo-4-tridecoxybutyl]azanium chloride Traditional Name: [(2R)-2-caprylyloxy-4-keto-4-tridecoxy-butyl]-trimethyl-ammonium chloride Formula: C28H56ClNO4 MolecularWeight: 506.20154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCCCCC.[Cl-]

InChI

InChI=1S/C28H56NO4.ClH/c1-6-8-10-12-13-14-15-16-17-19-21-23-32-28(31)24-26(25-29(3,4)5)33-27(30)22-20-18-11-9-7-2;/h26H,6-25H2,1-5H3;1H/q+1;/p-1/t26-;/m1./s1