3-methyl-4-(4-methylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine

Systemtic Name: 3-methyl-4-(4-methylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine Openeye Name: 3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(p-tolyl)-1H-imidazol-3-ium-2-amine CAS Name: 3-methyl-4-(4-methylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine IUPAC Name: 3-methyl-4-(4-methylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine Traditional Name: [3-methyl-4-(p-tolyl)-1H-imidazol-3-ium-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C19H19N4O4+ MolecularWeight: 367.37856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CNC(=[N+]2C)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CNC(=[N+]2C)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H18N4O4/c1-12-3-5-13(6-4-12)16-10-21-19(22(16)2)20-9-14-7-17-18(27-11-26-17)8-15(14)23(24)25/h3-8,10H,9,11H2,1-2H3,(H,20,21)/p+1