3-[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]oxy-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 3-(2,5-diamino-5-oxo-pentanoyl)oxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 3-(2,5-diamino-1,5-dioxopentoxy)-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 3-(2,5-diamino-5-oxopentanoyl)oxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 3-(2,5-diamino-5-keto-pentanoyl)oxy-4-(trimethylammonio)butyrate hydrochloride Formula: C12H24ClN3O5 MolecularWeight: 325.78906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O5.ClH/c1-15(2,3)7-8(6-11(17)18)20-12(19)9(13)4-5-10(14)16;/h8-9H,4-7,13H2,1-3H3,(H2-,14,16,17,18);1H