2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(2-chloro-5-nitro-phenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(2-chloro-5-nitrophenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2S/c1-21(2)10-11-22(13-14-6-4-3-5-7-14)18(26)20-17-12-15(23(24)25)8-9-16(17)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,26)/p+1