3-(3-methyl-4-sulfanylidene-pentanoyl)oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(3-methyl-4-sulfanylidene-pentanoyl)oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(3-methyl-4-thioxo-pentanoyl)oxy-4-(trimethylammonio)butanoate CAS Name: 3-(3-methyl-1-oxo-4-sulfanylidenepentoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(3-methyl-4-sulfanylidenepentanoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(3-methyl-4-thioxo-pentanoyl)oxy-4-(trimethylammonio)butyrate Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO4S/c1-9(10(2)19)6-13(17)18-11(7-12(15)16)8-14(3,4)5/h9,11H,6-8H2,1-5H3