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

Systemtic Name: 4-(3,4-dichlorophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine Openeye Name: 4-(3,4-dichlorophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine CAS Name: 4-(3,4-dichlorophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(3,4-dichlorophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine Traditional Name: [4-(3,4-dichlorophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H15Cl2N4O4+ MolecularWeight: 422.2421

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1C2=CC(=C(C=C2)Cl)Cl)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C[N+]1=C(NC=C1C2=CC(=C(C=C2)Cl)Cl)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H14Cl2N4O4/c1-23-15(10-2-3-12(19)13(20)4-10)8-22-18(23)21-7-11-5-16-17(28-9-27-16)6-14(11)24(25)26/h2-6,8H,7,9H2,1H3,(H,21,22)/p+1