2-[[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-trimethyl-azanium iodide Openeye Name: 2-[5-isopropoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl-trimethyl-ammonium iodide CAS Name: 2-[[2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo(propan-2-yloxy)methyl]-1,4-dihydropyridin-3-yl]-oxomethoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carbonyl]oxyethyl-trimethylazanium iodide Traditional Name: 2-[5-isopropoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl-trimethyl-ammonium iodide Formula: C23H32IN3O6 MolecularWeight: 573.42115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC[N+](C)(C)C.[I-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C23H31N3O6.HI/c1-14(2)32-23(28)20-16(4)24-15(3)19(22(27)31-12-11-26(5,6)7)21(20)17-9-8-10-18(13-17)25(29)30;/h8-10,13-14,21H,11-12H2,1-7H3;1H