4-methylbenzenesulfonic acid; 7-(phenylmethyl)-4,7-diazabicyclo[4.2.0]octane

Systemtic Name: 4-methylbenzenesulfonic acid; 7-(phenylmethyl)-4,7-diazabicyclo[4.2.0]octane Openeye Name: 7-benzyl-4,7-diazabicyclo[4.2.0]octane; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 7-(phenylmethyl)-4,7-diazabicyclo[4.2.0]octane IUPAC Name: 7-benzyl-4,7-diazabicyclo[4.2.0]octane; 4-methylbenzenesulfonic acid Traditional Name: 7-benzyl-4,7-diazabicyclo[4.2.0]octane; tosylic acid Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCC2C1CN2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCC2C1CN2CC3=CC=CC=C3

InChI

InChI=1S/C13H18N2.C7H8O3S/c1-2-4-11(5-3-1)9-15-10-12-6-7-14-8-13(12)15;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,12-14H,6-10H2;2-5H,1H3,(H,8,9,10)