2-[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-bromophenyl)sulfanyl-3-nitro-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(4-bromophenyl)thio]-3-nitrophenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-bromophenyl)sulfanyl-3-nitrobenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[(4-bromophenyl)thio]-3-nitro-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C17H19BrN3O3S+ MolecularWeight: 425.32006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O3S/c1-20(2)10-9-19-17(22)12-3-8-16(15(11-12)21(23)24)25-14-6-4-13(18)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,22)/p+1