2-[1-methoxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-7-sulfanyl-heptanoate

Systemtic Name: 2-[1-methoxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-7-sulfanyl-heptanoate Openeye Name: 2-[1-methoxy-2-(trimethylammonio)ethyl]-3-oxo-7-sulfanyl-heptanoate CAS Name: 7-mercapto-2-[1-methoxy-2-(trimethylammonio)ethyl]-3-oxoheptanoate IUPAC Name: 2-[1-methoxy-2-(trimethylazaniumyl)ethyl]-3-oxo-7-sulfanylheptanoate Traditional Name: 3-keto-7-mercapto-2-[1-methoxy-2-(trimethylammonio)ethyl]enanthate Formula: C13H25NO4S MolecularWeight: 291.4069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO4S/c1-14(2,3)9-11(18-4)12(13(16)17)10(15)7-5-6-8-19/h11-12H,5-9H2,1-4H3,(H-,16,17,19)