(Q27140557)

acetyl-b-methylthiocholine (English)

7 October 2016

chemical formula

C₈H₁₈NOS⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C[N+](C)(C)C)SC(=O)C

1 reference

acetyl-b-methylthiocholine (English)

InChI=1S/C8H18NOS/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1

7 October 2016

Identifiers

InChI

1 reference

acetyl-b-methylthiocholine (English)

7 October 2016

2 references

acetyl-b-methylthiocholine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

2-(Acetylsulfanyl)-N,N,N-trimethyl-1-propanaminium (English)

7 October 2016

2 references

acetyl-b-methylthiocholine (English)

7 October 2016

Reaxys registry number

1770057

1 reference

acetyl-beta-methylthiocholine (English)

7 October 2016

ChEBI ID

73475

mapping relation type

2 references

acetyl-beta-methylthiocholine (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H18NOS/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1

SureChEMBL ID

SCHEMBL5795938

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references