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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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