8-(2-carbamimidoylsulfanylethyl)-1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-8-ium-3-carboxylic acid bromide hydrobromide

Systemtic Name: 8-(2-carbamimidoylsulfanylethyl)-1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridin-8-ium-3-carboxylic acid bromide hydrobromide Openeye Name: 8-(2-carbamimidoylsulfanylethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-8-ium-3-carboxylic acid bromide hydrobromide CAS Name: 8-[2-(carbamimidoylthio)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-8-ium-3-carboxylic acid bromide hydrobromide IUPAC Name: 8-(2-carbamimidoylsulfanylethyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-8-ium-3-carboxylic acid bromide hydrobromide Traditional Name: 8-[2-(amidinothio)ethyl]-1-ethyl-4-keto-7-methyl-1,8-naphthyridin-8-ium-3-carboxylic acid bromide hydrobromide Formula: C15H20Br2N4O3S MolecularWeight: 496.2173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1[N+](=C(C=C2)C)CCSC(=N)N)C(=O)O.Br.[Br-]

Isomeric SMILES

CCN1C=C(C(=O)C2=C1[N+](=C(C=C2)C)CCSC(=N)N)C(=O)O.Br.[Br-]

InChI

InChI=1S/C15H18N4O3S.2BrH/c1-3-18-8-11(14(21)22)12(20)10-5-4-9(2)19(13(10)18)6-7-23-15(16)17;;/h4-5,8H,3,6-7H2,1-2H3,(H3-,16,17,21,22);2*1H