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

Systemtic Name: 4-(3-bromophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine Openeye Name: 4-(3-bromophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine CAS Name: 4-(3-bromophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(3-bromophenyl)-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-3-ium-2-amine Traditional Name: [4-(3-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C18H16BrN4O4+ MolecularWeight: 432.24804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O4/c1-22-15(11-3-2-4-13(19)5-11)9-21-18(22)20-8-12-6-16-17(27-10-26-16)7-14(12)23(24)25/h2-7,9H,8,10H2,1H3,(H,20,21)/p+1