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

Systemtic Name: 1-(6-chloranylpyridin-3-yl)piperidin-1-ium-1-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(6-chloro-3-pyridyl)piperidin-1-ium-1-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(6-chloro-3-pyridinyl)-1-piperidin-1-iumamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(6-chloropyridin-3-yl)piperidin-1-ium-1-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(6-chloro-3-pyridyl)piperidin-1-ium-1-yl]amine; tosylic acid Formula: C24H31ClN3O6S2+ MolecularWeight: 557.10244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15ClN3.2C7H8O3S/c11-10-5-4-9(8-13-10)14(12)6-2-1-3-7-14;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8H,1-3,6-7,12H2;2*2-5H,1H3,(H,8,9,10)/q+1;;