3-[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[4-(4-bromophenyl)sulfanyl-3-nitro-benzoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-[(4-bromophenyl)thio]-3-nitrophenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-(4-bromophenyl)sulfanyl-3-nitrobenzoyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-[(4-bromophenyl)thio]-3-nitro-benzoyl]amino]propyl-diethyl-ammonium Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O3S/c1-3-23(4-2)13-5-12-22-20(25)15-6-11-19(18(14-15)24(26)27)28-17-9-7-16(21)8-10-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,22,25)/p+1