(4,5-dimethoxy-2-methyl-phenyl)methyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H28N3O5+ MolecularWeight: 402.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC(=C(C=C2C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC(=C(C=C2C)OC)OC

InChI

InChI=1S/C21H27N3O5/c1-13-7-17(18(24(26)27)8-14(13)2)22-21(25)12-23(4)11-16-10-20(29-6)19(28-5)9-15(16)3/h7-10H,11-12H2,1-6H3,(H,22,25)/p+1