potassium; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: potassium; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: potassium; (3R)-3-acetoxy-4-(trimethylammonio)butanoate; 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: potassium; (3R)-3-acetyloxy-4-(trimethylammonio)butanoate; 5-[(3S)-3-dithiolanyl]pentanoate IUPAC Name: potassium; (3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate; 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: potassium; (3R)-3-acetoxy-4-(trimethylammonio)butyrate; 5-[(3S)-dithiolan-3-yl]valerate Formula: C17H30KNO6S2 MolecularWeight: 447.6515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4.C8H14O2S2.K/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;9-8(10)4-2-1-3-7-5-6-11-12-7;/h8H,5-6H2,1-4H3;7H,1-6H2,(H,9,10);/q;;+1/p-1/t8-;7-;/m10./s1