3-bromanyl-1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-1-ium; methanesulfonate

Systemtic Name: 3-bromanyl-1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-1-ium; methanesulfonate Openeye Name: 3-bromo-1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-1-ium; methanesulfonate CAS Name: 3-bromo-1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-1-ium; methanesulfonate IUPAC Name: 3-bromo-1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-1-ium; methanesulfonate Traditional Name: 3-bromo-1-methyl-2-phenyl-5H-imidaz[2,1-a]isoindol-1-ium mesylate Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C3=CC=CC=C3CN2C(=C1C4=CC=CC=C4)Br.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C3=CC=CC=C3CN2C(=C1C4=CC=CC=C4)Br.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H14BrN2.CH4O3S/c1-19-15(12-7-3-2-4-8-12)16(18)20-11-13-9-5-6-10-14(13)17(19)20;1-5(2,3)4/h2-10H,11H2,1H3;1H3,(H,2,3,4)/q+1;/p-1