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

Systemtic Name: (1-azanylquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Openeye Name: (1-aminoquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate CAS Name: (1-amino-2-quinolin-1-iumyl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate IUPAC Name: (1-aminoquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Traditional Name: (1-aminoquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone 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-].C1=CC=C2C(=C1)C=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)C=CC(=[N+]2N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O.C7H8O3S/c17-13-8-5-12(6-9-13)16(20)15-10-7-11-3-1-2-4-14(11)19(15)18;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,(H-,18,20);2-5H,1H3,(H,8,9,10)