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

Systemtic Name: (2,4-dimethylphenyl)methyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (2,4-dimethylphenyl)methyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (2,4-dimethylbenzyl)-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-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)C(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C20H25N3O4/c1-13-6-7-16(14(2)10-13)12-22(4)15(3)20(24)21-18-11-17(23(25)26)8-9-19(18)27-5/h6-11,15H,12H2,1-5H3,(H,21,24)/p+1/t15-/m1/s1