3-(5-sulfanylpentanoyloxy)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(5-sulfanylpentanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(5-sulfanylpentanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-(5-mercapto-1-oxopentoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(5-sulfanylpentanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(5-mercaptopentanoyloxy)-4-(trimethylammonio)butyrate Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4S/c1-13(2,3)9-10(8-11(14)15)17-12(16)6-4-5-7-18/h10H,4-9H2,1-3H3,(H-,14,15,18)