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

Systemtic Name: [1-oxidanidyl-4-oxidanylidene-3-(propan-2-ylcarbamoyl)quinoxalin-4-ium-2-yl]methyl carbamimidothioate hydrochloride Openeye Name: 3-(carbamimidoylsulfanylmethyl)-N-isopropyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide hydrochloride CAS Name: carbamimidothioic acid [1-oxido-4-oxo-3-[oxo-(propan-2-ylamino)methyl]-2-quinoxalin-4-iumyl]methyl ester hydrochloride IUPAC Name: [1-oxido-4-oxo-3-(propan-2-ylcarbamoyl)quinoxalin-4-ium-2-yl]methyl carbamimidothioate hydrochloride Traditional Name: 3-[(amidinothio)methyl]-N-isopropyl-1-keto-4-oxido-quinoxalin-1-ium-2-carboxamide hydrochloride Formula: C14H18ClN5O3S MolecularWeight: 371.84242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S.ClH/c1-8(2)17-13(20)12-11(7-23-14(15)16)18(21)9-5-3-4-6-10(9)19(12)22;/h3-6,8H,7H2,1-2H3,(H3,15,16)(H,17,20);1H