3-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-2-ethanoyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-acetyl-3-(4-amino-5-hydroxy-5-oxo-pentanoyl)oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-acetyl-3-(4-amino-5-hydroxy-1,5-dioxopentoxy)-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-acetyl-3-(4-amino-5-hydroxy-5-oxopentanoyl)oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-acetyl-3-(4-amino-5-hydroxy-5-keto-pentanoyl)oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C14H25ClN2O7 MolecularWeight: 368.8105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O7.ClH/c1-8(17)12(14(21)22)10(7-16(2,3)4)23-11(18)6-5-9(15)13(19)20;/h9-10,12H,5-7,15H2,1-4H3,(H-,19,20,21,22);1H