1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-4-ium; methyl sulfate

Systemtic Name: 1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-4-ium; methyl sulfate Openeye Name: 1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-4-ium; methyl sulfate CAS Name: 1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-4-ium; methyl sulfate IUPAC Name: 1-methyl-2-phenyl-5H-imidazo[2,1-a]isoindol-4-ium; methyl sulfate Traditional Name: 1-methyl-2-phenyl-5H-imidaz[2,1-a]isoindol-4-ium; methyl sulfate Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+]2=C1C3=CC=CC=C3C2)C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C(=C[N+]2=C1C3=CC=CC=C3C2)C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

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