butanoate; trimethyl(2-sulfanylethyl)azanium; iodide

Systemtic Name: butanoate; trimethyl(2-sulfanylethyl)azanium; iodide Openeye Name: butanoate; trimethyl(2-sulfanylethyl)ammonium; iodide CAS Name: butanoate; 2-mercaptoethyl(trimethyl)ammonium; iodide IUPAC Name: butanoate; trimethyl(2-sulfanylethyl)azanium; iodide Traditional Name: butyrate; 2-mercaptoethyl(trimethyl)ammonium; iodide Formula: C9H21INO2S- MolecularWeight: 334.23801

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].C[N+](C)(C)CCS.[I-]

Isomeric SMILES

CCCC(=O)[O-].C[N+](C)(C)CCS.[I-]

InChI

InChI=1S/C5H13NS.C4H8O2.HI/c1-6(2,3)4-5-7;1-2-3-4(5)6;/h4-5H2,1-3H3;2-3H2,1H3,(H,5,6);1H/p-1