5,9-dimethyl-11H-isoindolo[2,1-a]benzimidazol-10-ium; (4-methylphenyl) sulfate

Systemtic Name: 5,9-dimethyl-11H-isoindolo[2,1-a]benzimidazol-10-ium; (4-methylphenyl) sulfate Openeye Name: 5,9-dimethyl-11H-isoindolo[2,1-a]benzimidazol-10-ium; p-tolyl sulfate CAS Name: 5,9-dimethyl-11H-isoindolo[2,1-a]benzimidazol-10-ium; (4-methylphenyl) sulfate IUPAC Name: 5,9-dimethyl-11H-isoindolo[2,1-a]benzimidazol-10-ium; (4-methylphenyl) sulfate Traditional Name: 5,9-dimethyl-11H-isoindolo[2,1-a]benzimidazol-10-ium; p-tolyl sulfate Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)[O-].CC1=C2C(=CC=C1)N(C3=[N+]2CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)[O-].CC1=C2C(=CC=C1)N(C3=[N+]2CC4=CC=CC=C43)C

InChI

InChI=1S/C16H15N2.C7H8O4S/c1-11-6-5-9-14-15(11)18-10-12-7-3-4-8-13(12)16(18)17(14)2;1-6-2-4-7(5-3-6)11-12(8,9)10/h3-9H,10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1