4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl)butanoic acid

Systemtic Name: 4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl)butanoic acid Openeye Name: 4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl)butanoic acid CAS Name: 4-[6-(ethylthio)-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl]butanoic acid IUPAC Name: 4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-1-ium-3-yl)butanoic acid Traditional Name: 4-[6-(ethylthio)-2,4-dihydro-1H-s-triazin-1-ium-3-yl]butyric acid Formula: C9H18N3O2S+ MolecularWeight: 232.32312

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NCN(C[NH2+]1)CCCC(=O)O

Isomeric SMILES

CCSC1=NCN(C[NH2+]1)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)/p+1