[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl]-methyl-ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-13(20(2)12-14-7-5-4-6-8-14)18(22)19-16-10-9-15(21(23)24)11-17(16)25-3/h4-11,13H,12H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1