[3-(methylcarbamoyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl carbamimidothioate hydrochloride

Systemtic Name: [3-(methylcarbamoyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl carbamimidothioate hydrochloride Openeye Name: 3-(carbamimidoylsulfanylmethyl)-N-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide hydrochloride CAS Name: carbamimidothioic acid [3-(methylcarbamoyl)-1-oxido-4-oxo-2-quinoxalin-4-iumyl]methyl ester hydrochloride IUPAC Name: [3-(methylcarbamoyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl carbamimidothioate hydrochloride Traditional Name: 3-[(amidinothio)methyl]-1-keto-N-methyl-4-oxido-quinoxalin-1-ium-2-carboxamide hydrochloride Formula: C12H14ClN5O3S MolecularWeight: 343.78926

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC(=N)N.Cl

Isomeric SMILES

CNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC(=N)N.Cl

InChI

InChI=1S/C12H13N5O3S.ClH/c1-15-11(18)10-9(6-21-12(13)14)16(19)7-4-2-3-5-8(7)17(10)20;/h2-5H,6H2,1H3,(H3,13,14)(H,15,18);1H