3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-methyl-phenyl]methyl]-1H-imidazol-3-ium

Systemtic Name: 3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-methyl-phenyl]methyl]-1H-imidazol-3-ium Openeye Name: 3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-methyl-phenyl]methyl]-1H-imidazol-3-ium CAS Name: 3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-methylphenyl]methyl]-1H-imidazol-3-ium IUPAC Name: 3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-methylphenyl]methyl]-1H-imidazol-3-ium Traditional Name: 3-[3-(1H-imidazol-3-ium-3-ylmethyl)-5-methyl-benzyl]-1H-imidazol-3-ium Formula: C15H18N4+2 MolecularWeight: 254.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[N+]2=CNC=C2)C[N+]3=CNC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)C[N+]2=CNC=C2)C[N+]3=CNC=C3

InChI

InChI=1S/C15H16N4/c1-13-6-14(9-18-4-2-16-11-18)8-15(7-13)10-19-5-3-17-12-19/h2-8,11-12H,9-10H2,1H3/p+2