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

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H21N3O3/c1-13-9-10-16(21(23)24)18(14(13)2)19-17(22)12-20(3)11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H,19,22)/p+1