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

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-(2-thienylmethyl)ammonium CAS Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-(2-thenyl)ammonium Formula: C19H17BrN3O3S+ MolecularWeight: 447.32558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[NH2+]CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[NH2+]CC3=CC=CS3

InChI

InChI=1S/C19H16BrN3O3S/c20-16-11-14(23(25)26)8-9-17(16)22-19(24)18(13-5-2-1-3-6-13)21-12-15-7-4-10-27-15/h1-11,18,21H,12H2,(H,22,24)/p+1/t18-/m1/s1