[3-(tert-butylcarbamoyl)-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl N'-oxidanylcarbamimidothioate hydrochloride

Systemtic Name: [3-(tert-butylcarbamoyl)-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl N'-oxidanylcarbamimidothioate hydrochloride Openeye Name: N-tert-butyl-3-[[(E)-N'-hydroxycarbamimidoyl]sulfanylmethyl]-1-oxido-quinoxalin-1-ium-2-carboxamide hydrochloride CAS Name: N'-hydroxycarbamimidothioic acid [3-[(tert-butylamino)-oxomethyl]-4-oxido-2-quinoxalin-4-iumyl]methyl ester hydrochloride IUPAC Name: [3-(tert-butylcarbamoyl)-4-oxidoquinoxalin-4-ium-2-yl]methyl N'-hydroxycarbamimidothioate hydrochloride Traditional Name: 3-[[[(E)-aminocarbohydroximoyl]thio]methyl]-N-tert-butyl-1-oxido-quinoxalin-1-ium-2-carboxamide hydrochloride Formula: C15H20ClN5O3S MolecularWeight: 385.869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=[N+](C2=CC=CC=C2N=C1CSC(=NO)N)[O-].Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=[N+](C2=CC=CC=C2N=C1CS/C(=N/O)/N)[O-].Cl

InChI

InChI=1S/C15H19N5O3S.ClH/c1-15(2,3)18-13(21)12-10(8-24-14(16)19-22)17-9-6-4-5-7-11(9)20(12)23;/h4-7,22H,8H2,1-3H3,(H2,16,19)(H,18,21);1H