3-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-4-(trimethylammonio)butanoate CAS Name: 3-[[2-(4-azidophenyl)-2-oxoethyl]thio]-4-(trimethylammonio)butanoate IUPAC Name: 3-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[[2-(4-azidophenyl)-2-keto-ethyl]thio]-4-(trimethylammonio)butyrate Formula: C15H20N4O3S MolecularWeight: 336.4093

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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