2-ethanoyl-3-oxidanyl-2-propyl-3-[(trimethylazaniumyl)methyl]hexanoate hydrochloride

Systemtic Name: 2-ethanoyl-3-oxidanyl-2-propyl-3-[(trimethylazaniumyl)methyl]hexanoate hydrochloride Openeye Name: 2-acetyl-3-hydroxy-2-propyl-3-[(trimethylammonio)methyl]hexanoate hydrochloride CAS Name: 2-acetyl-3-hydroxy-2-propyl-3-[(trimethylammonio)methyl]hexanoate hydrochloride IUPAC Name: 2-acetyl-3-hydroxy-2-propyl-3-[(trimethylazaniumyl)methyl]hexanoate hydrochloride Traditional Name: 2-acetyl-3-hydroxy-2-propyl-3-[(trimethylammonio)methyl]hexanoate hydrochloride Formula: C15H30ClNO4 MolecularWeight: 323.856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29NO4.ClH/c1-7-9-14(20,11-16(4,5)6)15(10-8-2,12(3)17)13(18)19;/h20H,7-11H2,1-6H3;1H