4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenol; 4-methylbenzenesulfonic acid

Systemtic Name: 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenol; 4-methylbenzenesulfonic acid Openeye Name: 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenol; 4-methylbenzenesulfonic acid CAS Name: 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenol; 4-methylbenzenesulfonic acid IUPAC Name: 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenol; 4-methylbenzenesulfonic acid Traditional Name: 4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenol; 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.C1CN(CC=C1)CC2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC=C1)CC2=CC=C(C=C2)O

InChI

InChI=1S/C12H15NO.C7H8O3S/c14-12-6-4-11(5-7-12)10-13-8-2-1-3-9-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,4-7,14H,3,8-10H2;2-5H,1H3,(H,8,9,10)