dimethyl-[2-[5-methyl-4-(2-nitrophenyl)carbonyloxy-2-propan-2-yl-phenoxy]ethyl]azanium chloride

Systemtic Name: dimethyl-[2-[5-methyl-4-(2-nitrophenyl)carbonyloxy-2-propan-2-yl-phenoxy]ethyl]azanium chloride Openeye Name: 2-[2-isopropyl-5-methyl-4-(2-nitrobenzoyl)oxy-phenoxy]ethyl-dimethyl-ammonium chloride CAS Name: dimethyl-[2-[5-methyl-4-[(2-nitrophenyl)-oxomethoxy]-2-propan-2-ylphenoxy]ethyl]ammonium chloride IUPAC Name: dimethyl-[2-[5-methyl-4-(2-nitrobenzoyl)oxy-2-propan-2-ylphenoxy]ethyl]azanium chloride Traditional Name: 2-[2-isopropyl-5-methyl-4-(2-nitrobenzoyl)oxy-phenoxy]ethyl-dimethyl-ammonium chloride Formula: C21H27ClN2O5 MolecularWeight: 422.90248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)C)OCC[NH+](C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)C)OCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C21H26N2O5.ClH/c1-14(2)17-13-19(15(3)12-20(17)27-11-10-22(4)5)28-21(24)16-8-6-7-9-18(16)23(25)26;/h6-9,12-14H,10-11H2,1-5H3;1H