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

Systemtic Name: 1-(6-chloranylpyridin-3-yl)piperidin-3-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(6-chloro-3-pyridyl)piperidin-3-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(6-chloro-3-pyridinyl)-3-piperidinamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(6-chloropyridin-3-yl)piperidin-3-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(6-chloro-3-pyridyl)-3-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.C1CC(CN(C1)C2=CN=C(C=C2)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CN(C1)C2=CN=C(C=C2)Cl)N

InChI

InChI=1S/C10H14ClN3.C7H8O3S/c11-10-4-3-9(6-13-10)14-5-1-2-8(12)7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6,8H,1-2,5,7,12H2;2-5H,1H3,(H,8,9,10)