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3-(2-ethylbutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate

3-(2-ethylbutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate

Systemtic Name:3-(2-ethylbutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate
Openeye Name:3-(2-ethylbutanoylsulfanyl)-4-(trimethylammonio)butanoate
CAS Name:3-[(2-ethyl-1-oxobutyl)thio]-4-(trimethylammonio)butanoate
IUPAC Name:3-(2-ethylbutanoylsulfanyl)-4-(trimethylazaniumyl)butanoate
Traditional Name:3-(2-ethylbutanoylthio)-4-(trimethylammonio)butyrate
Formula: C13H25NO3S
MolecularWeight: 275.4075
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H25NO3S/c1-6-10(7-2)13(17)18-11(8-12(15)16)9-14(3,4)5/h10-11H,6-9H2,1-5H3


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