1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-4-methyl-1,2,4-triazol-4-ium iodide

Systemtic Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-4-methyl-1,2,4-triazol-4-ium iodide Openeye Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-4-methyl-1,2,4-triazol-4-ium iodide CAS Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-4-methyl-1,2,4-triazol-4-ium iodide IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-4-methyl-1,2,4-triazol-4-ium iodide Traditional Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-4-methyl-1,2,4-triazol-4-ium iodide Formula: C16H20Cl2IN3O2 MolecularWeight: 484.15937

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1COC(O1)(CN2C=[N+](C=N2)C)C3=C(C=C(C=C3)Cl)Cl.[I-]

Isomeric SMILES

CCCC1COC(O1)(CN2C=[N+](C=N2)C)C3=C(C=C(C=C3)Cl)Cl.[I-]

InChI

InChI=1S/C16H20Cl2N3O2.HI/c1-3-4-13-8-22-16(23-13,9-21-11-20(2)10-19-21)14-6-5-12(17)7-15(14)18;/h5-7,10-11,13H,3-4,8-9H2,1-2H3;1H/q+1;/p-1