Chemical Component Summary

Name(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium
Identifierstrimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-oxidanylsulfanyl-1~{H}-imidazol-4-yl)propan-2-yl]azanium
FormulaC9 H16 N3 O3 S
Molecular Weight246.307
TypeNON-POLYMER
Isomeric SMILESC[N+](C)(C)[C@@H](Cc1c[nH]c(n1)SO)C(=O)O
InChIInChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
InChIKeyZLPHHLCGSBYNCO-ZETCQYMHSA-O

Chemical Details

Formal Charge1
Atom Count32
Chiral Atom Count1
Bond Count32
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 122706276
ChEBI CHEBI:181946