2-[1-[(2S)-2-azanyl-4-methyl-pentanoyl]oxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-pentanoate hydrochloride

Systemtic Name: 2-[1-[(2S)-2-azanyl-4-methyl-pentanoyl]oxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-pentanoate hydrochloride Openeye Name: 2-[1-[(2S)-2-amino-4-methyl-pentanoyl]oxy-2-(trimethylammonio)ethyl]-3-oxo-pentanoate hydrochloride CAS Name: 2-[1-[(2S)-2-amino-4-methyl-1-oxopentoxy]-2-(trimethylammonio)ethyl]-3-oxopentanoate hydrochloride IUPAC Name: 2-[1-[(2S)-2-amino-4-methylpentanoyl]oxy-2-(trimethylazaniumyl)ethyl]-3-oxopentanoate hydrochloride Traditional Name: 2-[1-[(2S)-2-amino-4-methyl-pentanoyl]oxy-2-(trimethylammonio)ethyl]-3-keto-valerate hydrochloride Formula: C16H31ClN2O5 MolecularWeight: 366.88074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N2O5.ClH/c1-7-12(19)14(15(20)21)13(9-18(4,5)6)23-16(22)11(17)8-10(2)3;/h10-11,13-14H,7-9,17H2,1-6H3;1H/t11-,13?,14?;/m0./s1