methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-phenoxyethyl)azanium Openeye Name: methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]-(2-phenoxyethyl)ammonium CAS Name: methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-(2-phenoxyethyl)azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-14(20(2)12-13-25-15-8-4-3-5-9-15)18(22)19-16-10-6-7-11-17(16)21(23)24/h3-11,14H,12-13H2,1-2H3,(H,19,22)/p+1/t14-/m1/s1