(Z,3R)-3-acetamido-4-(3-methylbut-2-enylsulfanyl)-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (Z,3R)-3-acetamido-4-(3-methylbut-2-enylsulfanyl)-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (Z,3R)-3-acetamido-2-hydroxy-4-(3-methylbut-2-enylsulfanyl)but-1-ene-1-diazonium CAS Name: (Z,3R)-3-acetamido-2-hydroxy-4-(3-methylbut-2-enylthio)-1-butene-1-diazonium IUPAC Name: (Z,3R)-3-acetamido-2-hydroxy-4-(3-methylbut-2-enylsulfanyl)but-1-ene-1-diazonium Traditional Name: (Z,3R)-3-acetamido-2-hydroxy-4-(3-methylbut-2-enylthio)but-1-ene-1-diazonium Formula: C11H18N3O2S+ MolecularWeight: 256.34452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSCC(C(=C[N+]#N)O)NC(=O)C)C

Isomeric SMILES

CC(=CCSC[C@@H](/C(=C/[N+]#N)/O)NC(=O)C)C

InChI

InChI=1S/C11H17N3O2S/c1-8(2)4-5-17-7-10(14-9(3)15)11(16)6-13-12/h4,6,10H,5,7H2,1-3H3,(H-,14,15,16)/p+1/b11-6-/t10-/m0/s1