(2R)-2-azanyl-4-methyl-pentanoic acid; trimethyl-[(2S)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium; hydrochloride

Systemtic Name: (2R)-2-azanyl-4-methyl-pentanoic acid; trimethyl-[(2S)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium; hydrochloride Openeye Name: (2R)-2-amino-4-methyl-pentanoic acid; [(2S)-4-hydroxy-4-oxo-2-propanoyloxy-butyl]-trimethyl-ammonium; hydrochloride CAS Name: (2R)-2-amino-4-methylpentanoic acid; [(2S)-4-hydroxy-4-oxo-2-(1-oxopropoxy)butyl]-trimethylammonium; hydrochloride IUPAC Name: (2R)-2-amino-4-methylpentanoic acid; [(2S)-4-hydroxy-4-oxo-2-propanoyloxybutyl]-trimethylazanium; hydrochloride Traditional Name: (2R)-2-amino-4-methyl-valeric acid; [(2S)-4-hydroxy-4-keto-2-propionyloxy-butyl]-trimethyl-ammonium; hydrochloride Formula: C16H34ClN2O6+ MolecularWeight: 385.90396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO4.C6H13NO2.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;1-4(2)3-5(7)6(8)9;/h8H,5-7H2,1-4H3;4-5H,3,7H2,1-2H3,(H,8,9);1H/p+1/t8-;5-;/m01./s1