3-[(4S)-5-acetyloxy-4-azanyl-5-oxidanylidene-pentanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[(4S)-5-acetyloxy-4-azanyl-5-oxidanylidene-pentanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 3-[(4S)-5-acetoxy-4-amino-5-oxo-pentanoyl]oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 3-[(4S)-5-acetyloxy-4-amino-1,5-dioxopentoxy]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 3-[(4S)-5-acetyloxy-4-amino-5-oxopentanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 3-[(4S)-5-acetoxy-4-amino-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)OC(=O)C(CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2O7.ClH/c1-9(17)22-14(21)11(15)5-6-13(20)23-10(7-12(18)19)8-16(2,3)4;/h10-11H,5-8,15H2,1-4H3;1H/t10?,11-;/m0./s1