2-[[(3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoyl]amino]ethanesulfonate

Systemtic Name: 2-[[(3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoyl]amino]ethanesulfonate Openeye Name: 2-[[(3R)-3-propanoyloxy-4-(trimethylammonio)butanoyl]amino]ethanesulfonate CAS Name: 2-[[(3R)-1-oxo-3-(1-oxopropoxy)-4-(trimethylammonio)butyl]amino]ethanesulfonate IUPAC Name: 2-[[(3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoyl]amino]ethanesulfonate Traditional Name: 2-[[(3R)-3-propionyloxy-4-(trimethylammonio)butanoyl]amino]ethanesulfonate Formula: C12H24N2O6S MolecularWeight: 324.39376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC(=O)NCCS(=O)(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CCC(=O)O[C@H](CC(=O)NCCS(=O)(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C12H24N2O6S/c1-5-12(16)20-10(9-14(2,3)4)8-11(15)13-6-7-21(17,18)19/h10H,5-9H2,1-4H3,(H-,13,15,17,18,19)/t10-/m1/s1