4-methylbenzenesulfonic acid; 4-(phenoxymethyl)-3-azabicyclo[2.1.1]hexane

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(phenoxymethyl)-3-azabicyclo[2.1.1]hexane Openeye Name: 4-methylbenzenesulfonic acid; 4-(phenoxymethyl)-3-azabicyclo[2.1.1]hexane CAS Name: 4-methylbenzenesulfonic acid; 4-(phenoxymethyl)-3-azabicyclo[2.1.1]hexane IUPAC Name: 4-methylbenzenesulfonic acid; 4-(phenoxymethyl)-3-azabicyclo[2.1.1]hexane Traditional Name: 4-(phenoxymethyl)-3-azabicyclo[2.1.1]hexane; tosylic acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CC1(NC2)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CC1(NC2)COC3=CC=CC=C3

InChI

InChI=1S/C12H15NO.C7H8O3S/c1-2-4-11(5-3-1)14-9-12-6-10(7-12)8-13-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10,13H,6-9H2;2-5H,1H3,(H,8,9,10)