4-methylbenzenesulfonate; 6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one

Systemtic Name: 4-methylbenzenesulfonate; 6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one Openeye Name: 4-methylbenzenesulfonate; 6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one CAS Name: 4-methylbenzenesulfonate; 6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one IUPAC Name: 4-methylbenzenesulfonate; 6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one Traditional Name: 6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one tosylate Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C3=CC=CC=C3CN2C4=CC=CC=C4C1=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C3=CC=CC=C3CN2C4=CC=CC=C4C1=O

InChI

InChI=1S/C16H13N2O.C7H8O3S/c1-17-15-12-7-3-2-6-11(12)10-18(15)14-9-5-4-8-13(14)16(17)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,10H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1