(1-azanyl-3,4-dihydroquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate

Systemtic Name: (1-azanyl-3,4-dihydroquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Openeye Name: (1-amino-3,4-dihydroquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate CAS Name: (1-amino-3,4-dihydroquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate IUPAC Name: (1-amino-3,4-dihydroquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone; 4-methylbenzenesulfonate Traditional Name: (1-amino-3,4-dihydroquinolin-1-ium-2-yl)-(4-chlorophenyl)methanone tosylate Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(=[N+](C2=CC=CC=C21)N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(=[N+](C2=CC=CC=C21)N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O.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/h1-6,8-9H,7,10H2,(H-,18,20);2-5H,1H3,(H,8,9,10)