2-methyl-1-phenyl-5H-imidazo[5,1-a]isoindol-2-ium; methyl sulfate

Systemtic Name: 2-methyl-1-phenyl-5H-imidazo[5,1-a]isoindol-2-ium; methyl sulfate Openeye Name: 2-methyl-1-phenyl-5H-imidazo[5,1-a]isoindol-2-ium; methyl sulfate CAS Name: 2-methyl-1-phenyl-5H-imidazo[5,1-a]isoindol-2-ium; methyl sulfate IUPAC Name: 2-methyl-1-phenyl-5H-imidazo[5,1-a]isoindol-2-ium; methyl sulfate Traditional Name: 2-methyl-1-phenyl-5H-imidaz[5,1-a]isoindol-2-ium; methyl sulfate Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN2CC3=CC=CC=C3C2=C1C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN2CC3=CC=CC=C3C2=C1C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C17H15N2.CH4O4S/c1-18-12-19-11-14-9-5-6-10-15(14)17(19)16(18)13-7-3-2-4-8-13;1-5-6(2,3)4/h2-10,12H,11H2,1H3;1H3,(H,2,3,4)/q+1;/p-1