4-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)butanoate

Systemtic Name: 4-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)butanoate Openeye Name: 4-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)butanoate CAS Name: 4-[6-(ethylthio)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl]butanoate IUPAC Name: 4-(6-ethylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-3-yl)butanoate Traditional Name: 4-[6-(ethylthio)-1,2,3,4-tetrahydro-s-triazin-3-ium-3-yl]butyrate Formula: C9H17N3O2S MolecularWeight: 231.31518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC[NH+](CN1)CCCC(=O)[O-]

Isomeric SMILES

CCSC1=NC[NH+](CN1)CCCC(=O)[O-]

InChI

InChI=1S/C9H17N3O2S/c1-2-15-9-10-6-12(7-11-9)5-3-4-8(13)14/h2-7H2,1H3,(H,10,11)(H,13,14)