8-[[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]octyl-trimethyl-azanium iodide

Systemtic Name: 8-[[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonyloxy]octyl-trimethyl-azanium iodide Openeye Name: 8-[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyoctyl-trimethyl-ammonium iodide CAS Name: 8-[[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethoxy]octyl-trimethylammonium iodide IUPAC Name: 8-[(4S)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyoctyl-trimethylazanium iodide Traditional Name: 8-[(4S)-5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyoctyl-trimethyl-ammonium iodide Formula: C27H40IN3O6 MolecularWeight: 629.52747

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H39N3O6.HI/c1-19-23(26(31)35-6)25(21-14-13-15-22(18-21)29(33)34)24(20(2)28-19)27(32)36-17-12-10-8-7-9-11-16-30(3,4)5;/h13-15,18,25H,7-12,16-17H2,1-6H3;1H/t25-;/m0./s1