[4-[[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(dimethylamino)-5-nitro-benzoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(dimethylamino)-5-nitrobenzoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[2-(dimethylamino)-5-nitro-benzoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-5-24(6-2)15-17-9-7-16(8-10-17)14-22-21(26)19-13-18(25(27)28)11-12-20(19)23(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,22,26)/p+1