[2-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-[[2-(4-azidophenyl)-2-oxoethyl]thio]-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[[2-(4-azidophenyl)-2-keto-ethyl]thio]-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)SCC(=O)C1=CC=C(C=C1)N=[N+]=[N-]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)SCC(=O)C1=CC=C(C=C1)N=[N+]=[N-]

InChI

InChI=1S/C15H20N4O3S/c1-19(2,3)9-13(8-15(21)22)23-10-14(20)11-4-6-12(7-5-11)17-18-16/h4-7,13H,8-10H2,1-3H3/p+1