dimethyl-[3-[(4-nitrophenyl)carbamothioyl-(phenylmethyl)amino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-nitrophenyl)carbamothioyl-(phenylmethyl)amino]propyl]azanium Openeye Name: 3-[benzyl-[(4-nitrophenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[(4-nitroanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl]ammonium IUPAC Name: 3-[benzyl-[(4-nitrophenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(4-nitrophenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-21(2)13-6-14-22(15-16-7-4-3-5-8-16)19(26)20-17-9-11-18(12-10-17)23(24)25/h3-5,7-12H,6,13-15H2,1-2H3,(H,20,26)/p+1