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

Systemtic Name: [(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-butyl-azanium Openeye Name: [(1S)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-butyl-ammonium CAS Name: [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-butylammonium IUPAC Name: [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-butylazanium Traditional Name: [(1S)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-butyl-ammonium Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCC[NH2+][C@@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H20BrN3O3/c1-2-3-11-20-17(13-7-5-4-6-8-13)18(23)21-16-10-9-14(22(24)25)12-15(16)19/h4-10,12,17,20H,2-3,11H2,1H3,(H,21,23)/p+1/t17-/m0/s1