4-methylbenzenesulfonic acid; N-methyl-1-pyridin-3-yl-piperidin-1-ium-1-amine

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-1-pyridin-3-yl-piperidin-1-ium-1-amine Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-1-(3-pyridyl)piperidin-1-ium-1-amine CAS Name: 4-methylbenzenesulfonic acid; N-methyl-1-(3-pyridinyl)-1-piperidin-1-iumamine IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-1-pyridin-3-ylpiperidin-1-ium-1-amine Traditional Name: methyl-[1-(3-pyridyl)piperidin-1-ium-1-yl]amine; tosylic acid Formula: C25H34N3O6S2+ MolecularWeight: 536.68396

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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.CN[N+]1(CCCCC1)C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN[N+]1(CCCCC1)C2=CN=CC=C2

InChI

InChI=1S/C11H18N3.2C7H8O3S/c1-12-14(8-3-2-4-9-14)11-6-5-7-13-10-11;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10,12H,2-4,8-9H2,1H3;2*2-5H,1H3,(H,8,9,10)/q+1;;