(3-aminocarbonyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl N'-oxidanylcarbamimidothioate hydrochloride

Systemtic Name: (3-aminocarbonyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl N'-oxidanylcarbamimidothioate hydrochloride Openeye Name: 3-[[(E)-N'-hydroxycarbamimidoyl]sulfanylmethyl]-1-oxido-quinoxalin-1-ium-2-carboxamide hydrochloride CAS Name: N'-hydroxycarbamimidothioic acid (3-carbamoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester hydrochloride IUPAC Name: (3-carbamoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl N'-hydroxycarbamimidothioate hydrochloride Traditional Name: 3-[[[(E)-aminocarbohydroximoyl]thio]methyl]-1-oxido-quinoxalin-1-ium-2-carboxamide hydrochloride Formula: C11H12ClN5O3S MolecularWeight: 329.76268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=[N+]2[O-])C(=O)N)CSC(=NO)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=[N+]2[O-])C(=O)N)CS/C(=N/O)/N.Cl

InChI

InChI=1S/C11H11N5O3S.ClH/c12-10(17)9-7(5-20-11(13)15-18)14-6-3-1-2-4-8(6)16(9)19;/h1-4,18H,5H2,(H2,12,17)(H2,13,15);1H