2-azanyl-3,4-dihydroisoquinolin-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-3,4-dihydroisoquinolin-1-one; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-3,4-dihydroisoquinolin-1-one; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3,4-dihydroisoquinolin-1-one; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-3,4-dihydroisoquinolin-1-one; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3,4-dihydroisocarbostyril; tosylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C(=O)C2=CC=CC=C21)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C(=O)C2=CC=CC=C21)N

InChI

InChI=1S/C9H10N2O.C7H8O3S/c10-11-6-5-7-3-1-2-4-8(7)9(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5-6,10H2;2-5H,1H3,(H,8,9,10)