(1-azanylquinoxalin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate

Systemtic Name: (1-azanylquinoxalin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Openeye Name: (1-aminoquinoxalin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate CAS Name: (1-amino-2-quinoxalin-1-iumyl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate IUPAC Name: (1-aminoquinoxalin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Traditional Name: (1-aminoquinoxalin-1-ium-2-yl)-(4-chlorophenyl)methanone tosylate Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)N=CC(=[N+]2N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)N=CC(=[N+]2N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H10ClN3O.C7H8O3S/c16-11-7-5-10(6-8-11)15(20)14-9-18-12-3-1-2-4-13(12)19(14)17;1-6-2-4-7(5-3-6)11(8,9)10/h1-9H,(H-,17,18,20);2-5H,1H3,(H,8,9,10)