The Sulfonium,(3-amino-3-carboxypropyl)dimethyl-, chloride (1:1), with the cas registry number 3493-12-7, has the IUPAC name of (3-amino-4-hydroxy-4-oxobutyl)-dimethylsulfanium chloride. And its product categories are including Iodonium Sulfonium & Oxonium Compounds; Sulfonium Compounds.
The characteristics of this kind of chemical are as follows: (1)#H bond acceptors: 3; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 63.32; (5)Exact Mass: 199.043377; (6)MonoIsotopic Mass: 199.043377; (7)Topological Polar Surface Area: 64.3; (8)Heavy Atom Count: 11; (9)Complexity: 116; (10)Undefined Atom StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 2.
Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C[S+](C)CCC(C(=O)O)N.[Cl-]
(2)InChI: InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H
(3)InChIKey: MYGVPKMVGSXPCQ-UHFFFAOYSA-N
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