2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-5-sulfanyl-pentanoate

Systemtic Name: 2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-5-sulfanyl-pentanoate Openeye Name: 2-[2-chloro-2-(trimethylammonio)ethyl]-3-oxo-5-sulfanyl-pentanoate CAS Name: 2-[2-chloro-2-(trimethylammonio)ethyl]-5-mercapto-3-oxopentanoate IUPAC Name: 2-[2-chloro-2-(trimethylazaniumyl)ethyl]-3-oxo-5-sulfanylpentanoate Traditional Name: 2-[2-chloro-2-(trimethylammonio)ethyl]-3-keto-5-mercapto-valerate Formula: C10H18ClNO3S MolecularWeight: 267.77282

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC(C(=O)CCS)C(=O)[O-])Cl

Isomeric SMILES

C[N+](C)(C)C(CC(C(=O)CCS)C(=O)[O-])Cl

InChI

InChI=1S/C10H18ClNO3S/c1-12(2,3)9(11)6-7(10(14)15)8(13)4-5-16/h7,9H,4-6H2,1-3H3,(H-,14,15,16)