4-azanyl-2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-6-methylsulfanyl-3-oxidanylidene-hexanoate hydrochloride

Systemtic Name: 4-azanyl-2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-6-methylsulfanyl-3-oxidanylidene-hexanoate hydrochloride Openeye Name: 4-amino-2-[2-chloro-2-(trimethylammonio)ethyl]-6-methylsulfanyl-3-oxo-hexanoate hydrochloride CAS Name: 4-amino-2-[2-chloro-2-(trimethylammonio)ethyl]-6-(methylthio)-3-oxohexanoate hydrochloride IUPAC Name: 4-amino-2-[2-chloro-2-(trimethylazaniumyl)ethyl]-6-methylsulfanyl-3-oxohexanoate hydrochloride Traditional Name: 4-amino-2-[2-chloro-2-(trimethylammonio)ethyl]-3-keto-6-(methylthio)hexanoate hydrochloride Formula: C12H24Cl2N2O3S MolecularWeight: 347.30156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23ClN2O3S.ClH/c1-15(2,3)10(13)7-8(12(17)18)11(16)9(14)5-6-19-4;/h8-10H,5-7,14H2,1-4H3;1H