Catalog Number
ACM55357385
Product Name
Choline tosylate
Category
Heterocyclic Organic Compound
Synonyms
2-Hydroxy-N,N,N-trimethyl-ethanaminium 4-methylbenzenesulfonic acid salt
IUPAC Name
2-Hydroxyethyl(trimethyl)azanium;4-methylbenzenesulfonate
Molecular Formula
C12H21NO4S
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCO
InChI
InChI=1S/C7H8O3S.C5H14NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)4-5-7/h2-5H,1H3,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1
InChI Key
DVGVMQVOCJNXNJ-UHFFFAOYSA-M
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Monoisotopic Mass
275.11912932
Topological Polar Surface Area
85.8 Ų