![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/10561-14-5.gif)
Synonyms
ACMC-1BPN4; Benzoylthiocholine Iodide; SCHEMBL2356875; DTXSID60553325; FT-0752717; J-001455; B0307; TR-001170; AKOS015833234;
IUPAC Name
2-benzoylsulfanylethyl(trimethyl)azanium;iodide;
Molecular Weight
351.25
Molecular Formula
C12H18INOS
Canonical SMILES
C[N+](C)(C)CCSC(=O)C1=CC=CC=C1.[I-];
InChI
InChI=1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1;
InChI Key
PCGVSJGEHWZOBK-UHFFFAOYSA-M;
Purity
>98.0%(T)
Complexity
204
Covalently-Bonded Unit Count
2
Exact Mass
351.015g/mol
H-Bond Acceptor
3
Heavy Atom Count
16
Monoisotopic Mass
351.015g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
42.4A^2
