[azanyl-[[5-[(1S)-6-ethoxy-1-oxidanyl-6-oxidanylidene-hexyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[[5-[(1S)-6-ethoxy-1-oxidanyl-6-oxidanylidene-hexyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[[5-[(1S)-6-ethoxy-1-hydroxy-6-oxo-hexyl]-2-oxo-1,3-dihydroimidazol-4-yl]methylsulfanyl]methylene]ammonium CAS Name: [amino-[[5-[(1S)-6-ethoxy-1-hydroxy-6-oxohexyl]-2-oxo-1,3-dihydroimidazol-4-yl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[5-[(1S)-6-ethoxy-1-hydroxy-6-oxohexyl]-2-oxo-1,3-dihydroimidazol-4-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[[5-[(1S)-6-ethoxy-1-hydroxy-6-keto-hexyl]-2-keto-4-imidazolin-4-yl]methylthio]methylene]ammonium Formula: C13H23N4O4S+ MolecularWeight: 331.41112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C1=C(NC(=O)N1)CSC(=[NH2+])N)O

Isomeric SMILES

CCOC(=O)CCCC[C@@H](C1=C(NC(=O)N1)CSC(=[NH2+])N)O

InChI

InChI=1S/C13H22N4O4S/c1-2-21-10(19)6-4-3-5-9(18)11-8(7-22-12(14)15)16-13(20)17-11/h9,18H,2-7H2,1H3,(H3,14,15)(H2,16,17,20)/p+1/t9-/m0/s1