(4,5-dimethoxy-2-methyl-phenyl)methyl-[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)C(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)[C@@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H27N3O6/c1-13-9-19(29-5)20(30-6)10-15(13)12-23(3)14(2)21(25)22-17-11-16(24(26)27)7-8-18(17)28-4/h7-11,14H,12H2,1-6H3,(H,22,25)/p+1/t14-/m0/s1