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

Systemtic Name: methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-(2-phenoxyethyl)azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-14-8-9-15(21(23)24)12-17(14)19-18(22)13-20(2)10-11-25-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)/p+1