3-[2,5-bis(azanyl)pentanoyloxy]-2-ethanoyl-4-(trimethylazaniumyl)butanoate dihydrochloride

Systemtic Name: 3-[2,5-bis(azanyl)pentanoyloxy]-2-ethanoyl-4-(trimethylazaniumyl)butanoate dihydrochloride Openeye Name: 2-acetyl-3-(2,5-diaminopentanoyloxy)-4-(trimethylammonio)butanoate dihydrochloride CAS Name: 2-acetyl-3-(2,5-diamino-1-oxopentoxy)-4-(trimethylammonio)butanoate dihydrochloride IUPAC Name: 2-acetyl-3-(2,5-diaminopentanoyloxy)-4-(trimethylazaniumyl)butanoate dihydrochloride Traditional Name: 2-acetyl-3-(2,5-diaminopentanoyloxy)-4-(trimethylammonio)butyrate dihydrochloride Formula: C14H29Cl2N3O5 MolecularWeight: 390.30316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O5.2ClH/c1-9(18)12(13(19)20)11(8-17(2,3)4)22-14(21)10(16)6-5-7-15;;/h10-12H,5-8,15-16H2,1-4H3;2*1H