1-[[2-bromanyl-3-[(3-octylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-octyl-imidazol-1-ium

Systemtic Name: 1-[[2-bromanyl-3-[(3-octylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-octyl-imidazol-1-ium Openeye Name: 1-[[2-bromo-3-[(3-octylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-octyl-imidazol-1-ium CAS Name: 1-[[2-bromo-3-[(3-octyl-1-imidazol-1-iumyl)methyl]phenyl]methyl]-3-octylimidazol-1-ium IUPAC Name: 1-[[2-bromo-3-[(3-octylimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-octylimidazol-1-ium Traditional Name: 1-[2-bromo-3-[(3-octylimidazol-1-ium-1-yl)methyl]benzyl]-3-octyl-imidazol-1-ium Formula: C30H47BrN4+2 MolecularWeight: 543.62498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)CC2=C(C(=CC=C2)C[N+]3=CN(C=C3)CCCCCCCC)Br

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)CC2=C(C(=CC=C2)C[N+]3=CN(C=C3)CCCCCCCC)Br

InChI

InChI=1S/C30H47BrN4/c1-3-5-7-9-11-13-18-32-20-22-34(26-32)24-28-16-15-17-29(30(28)31)25-35-23-21-33(27-35)19-14-12-10-8-6-4-2/h15-17,20-23,26-27H,3-14,18-19,24-25H2,1-2H3/q+2