trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanylidene-4-undecan-6-yloxy-butyl]azanium chloride

Systemtic Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanylidene-4-undecan-6-yloxy-butyl]azanium chloride Openeye Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-(1-pentylhexoxy)butyl]ammonium chloride CAS Name: trimethyl-[(2R)-2-(3-methyl-1-oxobutoxy)-4-oxo-4-undecan-6-yloxybutyl]ammonium chloride IUPAC Name: trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-undecan-6-yloxybutyl]azanium chloride Traditional Name: [(2R)-4-(1-amylhexoxy)-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C23H46ClNO4 MolecularWeight: 436.06864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H46NO4.ClH/c1-8-10-12-14-20(15-13-11-9-2)27-23(26)17-21(18-24(5,6)7)28-22(25)16-19(3)4;/h19-21H,8-18H2,1-7H3;1H/q+1;/p-1/t21-;/m1./s1