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

Systemtic Name: 2-[[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]ethyl-trimethyl-azanium iodide Openeye Name: 2-[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl-trimethyl-ammonium iodide CAS Name: 2-[[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl-trimethylazanium iodide Traditional Name: 2-[(4S)-5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl-trimethyl-ammonium iodide Formula: C21H28IN3O6 MolecularWeight: 545.36799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6.HI/c1-13-17(20(25)29-6)19(15-8-7-9-16(12-15)23(27)28)18(14(2)22-13)21(26)30-11-10-24(3,4)5;/h7-9,12,19H,10-11H2,1-6H3;1H/t19-;/m0./s1