dimethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[(4-nitroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[(4-nitrophenyl)thiocarbamoylamino]methyl]benzyl]ammonium Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-20(2)12-14-5-3-13(4-6-14)11-18-17(24)19-15-7-9-16(10-8-15)21(22)23/h3-10H,11-12H2,1-2H3,(H2,18,19,24)/p+1