sodium; 5-[(3S)-1,2-dithiolan-3-yl]pentanoate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: sodium; 5-[(3S)-1,2-dithiolan-3-yl]pentanoate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: sodium; 5-[(3S)-dithiolan-3-yl]pentanoate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: sodium; 5-[(3S)-3-dithiolanyl]pentanoate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: sodium; 5-[(3S)-dithiolan-3-yl]pentanoate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: sodium; 5-[(3S)-dithiolan-3-yl]valerate; 3-hydroxy-4-(trimethylammonio)butyrate Formula: C15H28NNaO5S2 MolecularWeight: 389.50629

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.C1CSSC1CCCCC(=O)[O-].[Na+]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)[O-])O.C1CSS[C@H]1CCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C8H14O2S2.C7H15NO3.Na/c9-8(10)4-2-1-3-7-5-6-11-12-7;1-8(2,3)5-6(9)4-7(10)11;/h7H,1-6H2,(H,9,10);6,9H,4-5H2,1-3H3;/q;;+1/p-1/t7-;;/m0../s1