(4-dimethylaminophenyl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-ethylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-ethylazanium Traditional Name: [4-(dimethylamino)benzyl]-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-ethyl-ammonium Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-6-24(13-17-8-10-18(11-9-17)23(4)5)14-20(26)22-21-16(3)15(2)7-12-19(21)25(27)28/h7-12H,6,13-14H2,1-5H3,(H,22,26)/p+1