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

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)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)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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