[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-[(1R)-3-methyl-1-phenyl-butyl]azanium

Systemtic Name: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-[(1R)-3-methyl-1-phenyl-butyl]azanium Openeye Name: [(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]-[(1R)-3-methyl-1-phenyl-butyl]ammonium CAS Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-[(1R)-3-methyl-1-phenylbutyl]ammonium IUPAC Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-[(1R)-3-methyl-1-phenylbutyl]azanium Traditional Name: [(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]-[(1R)-3-methyl-1-phenyl-butyl]ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH2+][C@H](CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4/c1-14(2)12-19(16-8-6-5-7-9-16)22-15(3)21(25)23-18-11-10-17(24(26)27)13-20(18)28-4/h5-11,13-15,19,22H,12H2,1-4H3,(H,23,25)/p+1/t15-,19-/m1/s1