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

Systemtic Name: 3-chloranyl-6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one; 4-methylbenzenesulfonate Openeye Name: 3-chloro-6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one; 4-methylbenzenesulfonate CAS Name: 3-chloro-6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one; 4-methylbenzenesulfonate IUPAC Name: 3-chloro-6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one; 4-methylbenzenesulfonate Traditional Name: 3-chloro-6-methyl-11H-isoindolo[2,1-a]quinazolin-6-ium-5-one tosylate Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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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=C(C1=O)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C3=CC=CC=C3CN2C4=C(C1=O)C=C(C=C4)Cl

InChI

InChI=1S/C16H12ClN2O.C7H8O3S/c1-18-15-12-5-3-2-4-10(12)9-19(15)14-7-6-11(17)8-13(14)16(18)20;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,9H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1