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

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]ammonium Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-6-24(14-16-7-9-17(10-8-16)23(3)4)15(2)21(26)22-19-13-18(25(27)28)11-12-20(19)29-5/h7-13,15H,6,14H2,1-5H3,(H,22,26)/p+1/t15-/m1/s1