2-[[(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(1S)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(1S)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]amino]ethyl-diethyl-ammonium Formula: C20H26BrN4O3+ MolecularWeight: 450.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC[NH+](CC)CCN[C@@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H25BrN4O3/c1-3-24(4-2)13-12-22-19(15-8-6-5-7-9-15)20(26)23-18-11-10-16(25(27)28)14-17(18)21/h5-11,14,19,22H,3-4,12-13H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1