1-(6-chloranylpyridin-3-yl)piperidin-4-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(6-chloranylpyridin-3-yl)piperidin-4-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(6-chloro-3-pyridyl)piperidin-4-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(6-chloro-3-pyridinyl)-4-piperidinamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(6-chloropyridin-3-yl)piperidin-4-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(6-chloro-3-pyridyl)-4-piperidyl]amine; tosylic acid Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1N)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1N)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C10H14ClN3.C7H8O3S/c11-10-2-1-9(7-13-10)14-5-3-8(12)4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,7-8H,3-6,12H2;2-5H,1H3,(H,8,9,10)