[(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-butoxypropyl)azanium

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(3-butoxypropyl)azanium Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-(3-butoxypropyl)ammonium CAS Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(3-butoxypropyl)ammonium IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(3-butoxypropyl)azanium Traditional Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-(3-butoxypropyl)ammonium Formula: C21H27BrN3O4+ MolecularWeight: 465.36078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O4/c1-2-3-13-29-14-7-12-23-20(16-8-5-4-6-9-16)21(26)24-19-11-10-17(25(27)28)15-18(19)22/h4-6,8-11,15,20,23H,2-3,7,12-14H2,1H3,(H,24,26)/p+1/t20-/m1/s1