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

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O4/c1-14-11-17(18(22(24)25)12-15(14)2)20-19(23)13-21(3)9-10-26-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,23)/p+1