[(2R)-2-heptanoyloxy-4-oxidanylidene-4-undecoxy-butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-2-heptanoyloxy-4-oxidanylidene-4-undecoxy-butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-2-heptanoyloxy-4-oxo-4-undecoxy-butyl]-trimethyl-ammonium chloride CAS Name: trimethyl-[(2R)-4-oxo-2-(1-oxoheptoxy)-4-undecoxybutyl]ammonium chloride IUPAC Name: [(2R)-2-heptanoyloxy-4-oxo-4-undecoxybutyl]-trimethylazanium chloride Traditional Name: [(2R)-2-enanthyloxy-4-keto-4-undecoxy-butyl]-trimethyl-ammonium chloride Formula: C25H50ClNO4 MolecularWeight: 464.1218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CCCCCC.[Cl-]

InChI

InChI=1S/C25H50NO4.ClH/c1-6-8-10-12-13-14-15-16-18-20-29-25(28)21-23(22-26(3,4)5)30-24(27)19-17-11-9-7-2;/h23H,6-22H2,1-5H3;1H/q+1;/p-1/t23-;/m1./s1