[4-[[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[(2-chloro-5-nitro-phenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[(2-chloro-5-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C17H20ClN4O2S+ MolecularWeight: 379.8843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-21(2)11-13-5-3-12(4-6-13)10-19-17(25)20-16-9-14(22(23)24)7-8-15(16)18/h3-9H,10-11H2,1-2H3,(H2,19,20,25)/p+1