1-methyl-2-[2-(4-nitrophenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-2-[2-(4-nitrophenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide Openeye Name: 1-methyl-2-[2-(4-nitrophenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide CAS Name: 1-methyl-2-[2-(4-nitrophenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide IUPAC Name: 1-methyl-2-[2-(4-nitrophenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide Traditional Name: 1-methyl-2-[2-(4-nitrophenyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide Formula: C16H17IN2O4 MolecularWeight: 428.22165

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2COC(OC2)C3=CC=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1C2COC(OC2)C3=CC=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C16H17N2O4.HI/c1-17-9-3-2-4-15(17)13-10-21-16(22-11-13)12-5-7-14(8-6-12)18(19)20;/h2-9,13,16H,10-11H2,1H3;1H/q+1;/p-1