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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-[(2-bromanyl-6-fluoranyl-phenyl)methyl]-3-methyl-1H-imidazol-3-ium-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-[(2-bromo-6-fluoro-phenyl)methyl]-3-methyl-1H-imidazol-3-ium-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-N-[(2-bromo-6-fluorophenyl)methyl]-3-methyl-1H-imidazol-3-ium-2-amine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-[(2-bromo-6-fluorophenyl)methyl]-3-methyl-1H-imidazol-3-ium-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-3-methyl-1H-imidazol-3-ium-2-yl]-(2-bromo-6-fluoro-benzyl)amine Formula: C18H16BrFN3O2+ MolecularWeight: 405.240943

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1C2=CC3=C(C=C2)OCO3)NCC4=C(C=CC=C4Br)F

Isomeric SMILES

C[N+]1=C(NC=C1C2=CC3=C(C=C2)OCO3)NCC4=C(C=CC=C4Br)F

InChI

InChI=1S/C18H15BrFN3O2/c1-23-15(11-5-6-16-17(7-11)25-10-24-16)9-22-18(23)21-8-12-13(19)3-2-4-14(12)20/h2-7,9H,8,10H2,1H3,(H,21,22)/p+1