4-methylbenzenesulfonic acid; 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptan-4-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptan-4-ol Openeye Name: 1-benzyl-1-azoniabicyclo[2.2.1]heptan-4-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptan-4-ol IUPAC Name: 1-benzyl-1-azoniabicyclo[2.2.1]heptan-4-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzyl-1-azoniabicyclo[2.2.1]heptan-4-ol; tosylic acid Formula: C20H26NO4S+ MolecularWeight: 376.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C[N+]2(CCC1(C2)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C[N+]2(CCC1(C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C13H18NO.C7H8O3S/c15-13-6-8-14(11-13,9-7-13)10-12-4-2-1-3-5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,15H,6-11H2;2-5H,1H3,(H,8,9,10)/q+1;