[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-diphenethyl-azanium

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-diphenethyl-azanium Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-diphenethyl-ammonium CAS Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-diphenethylammonium IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-diphenethylazanium Traditional Name: [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-diphenethyl-ammonium Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](CCC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+](CCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O4/c1-20(26(30)27-24-19-23(29(31)32)13-14-25(24)33-2)28(17-15-21-9-5-3-6-10-21)18-16-22-11-7-4-8-12-22/h3-14,19-20H,15-18H2,1-2H3,(H,27,30)/p+1/t20-/m0/s1