methanesulfonate; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanylidene-4-undecoxy-butyl]azanium

Systemtic Name: methanesulfonate; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanylidene-4-undecoxy-butyl]azanium Openeye Name: methanesulfonate; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-undecoxy-butyl]ammonium CAS Name: methanesulfonate; trimethyl-[(2R)-2-(3-methyl-1-oxobutoxy)-4-oxo-4-undecoxybutyl]ammonium IUPAC Name: methanesulfonate; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxo-4-undecoxybutyl]azanium Traditional Name: [(2R)-2-isovaleryloxy-4-keto-4-undecoxy-butyl]-trimethyl-ammonium mesylate Formula: C24H49NO7S MolecularWeight: 495.71336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CC(C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H46NO4.CH4O3S/c1-7-8-9-10-11-12-13-14-15-16-27-22(25)18-21(19-24(4,5)6)28-23(26)17-20(2)3;1-5(2,3)4/h20-21H,7-19H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/t21-;/m1./s1