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

Systemtic Name: trimethyl-[(2R)-4-oxidanylidene-4-tridecoxy-2-undecanoyloxy-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-4-oxo-4-tridecoxy-2-undecanoyloxy-butyl]ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-(1-oxoundecoxy)-4-tridecoxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-4-oxo-4-tridecoxy-2-undecanoyloxybutyl]azanium chloride Traditional Name: [(2R)-4-keto-4-tridecoxy-2-undecanoyloxy-butyl]-trimethyl-ammonium chloride Formula: C31H62ClNO4 MolecularWeight: 548.28128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62NO4.ClH/c1-6-8-10-12-14-16-17-18-20-22-24-26-35-31(34)27-29(28-32(3,4)5)36-30(33)25-23-21-19-15-13-11-9-7-2;/h29H,6-28H2,1-5H3;1H/q+1;/p-1/t29-;/m1./s1