4-methylbenzenesulfonic acid; 1-pyridin-3-ylpiperidin-1-ium-1-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-pyridin-3-ylpiperidin-1-ium-1-amine Openeye Name: 4-methylbenzenesulfonic acid; 1-(3-pyridyl)piperidin-1-ium-1-amine CAS Name: 4-methylbenzenesulfonic acid; 1-(3-pyridinyl)-1-piperidin-1-iumamine IUPAC Name: 4-methylbenzenesulfonic acid; 1-pyridin-3-ylpiperidin-1-ium-1-amine Traditional Name: [1-(3-pyridyl)piperidin-1-ium-1-yl]amine; tosylic acid Formula: C24H32N3O6S2+ MolecularWeight: 522.65738

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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=CC=C2)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=CC=C2)N

InChI

InChI=1S/C10H16N3.2C7H8O3S/c11-13(7-2-1-3-8-13)10-5-4-6-12-9-10;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-6,9H,1-3,7-8,11H2;2*2-5H,1H3,(H,8,9,10)/q+1;;