(E)-1-[methyl(4-thiophen-2-ylbutanoyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium

Systemtic Name: (E)-1-[methyl(4-thiophen-2-ylbutanoyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium Openeye Name: (E)-1-hydroxy-1-[methyl-[4-(2-thienyl)butanoyl]amino]-3-oxo-but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-1-[methyl-(1-oxo-4-thiophen-2-ylbutyl)amino]-3-oxo-1-butene-2-diazonium IUPAC Name: (E)-1-hydroxy-1-[methyl(4-thiophen-2-ylbutanoyl)amino]-3-oxobut-1-ene-2-diazonium Traditional Name: (E)-1-hydroxy-3-keto-1-[methyl-[4-(2-thienyl)butanoyl]amino]but-1-ene-2-diazonium Formula: C13H16N3O3S+ MolecularWeight: 294.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C)C(=O)CCCC1=CC=CS1)O)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C)C(=O)CCCC1=CC=CS1)\O)/[N+]#N

InChI

InChI=1S/C13H15N3O3S/c1-9(17)12(15-14)13(19)16(2)11(18)7-3-5-10-6-4-8-20-10/h4,6,8H,3,5,7H2,1-2H3/p+1