1-methyl-3-[[3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium dichloride

Systemtic Name: 1-methyl-3-[[3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium dichloride Openeye Name: 1-methyl-3-[[3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium dichloride CAS Name: 1-methyl-3-[[3-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]imidazol-1-ium dichloride IUPAC Name: 1-methyl-3-[[3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium dichloride Traditional Name: 1-methyl-3-[3-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]imidazol-1-ium dichloride Formula: C16H20Cl2N4 MolecularWeight: 339.2628

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC(=CC=C2)CN3C=C[N+](=C3)C.[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC(=CC=C2)CN3C=C[N+](=C3)C.[Cl-].[Cl-]

InChI

InChI=1S/C16H20N4.2ClH/c1-17-6-8-19(13-17)11-15-4-3-5-16(10-15)12-20-9-7-18(2)14-20;;/h3-10,13-14H,11-12H2,1-2H3;2*1H/q+2;;/p-2