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

Systemtic Name: (2,4-dimethylphenyl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2,4-dimethylphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2,4-dimethylphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (2,4-dimethylbenzyl)-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC)C

InChI

InChI=1S/C20H25N3O4/c1-13-6-7-16(14(2)8-13)11-22(4)12-20(24)21-17-10-19(27-5)18(23(25)26)9-15(17)3/h6-10H,11-12H2,1-5H3,(H,21,24)/p+1