1-methyl-1-(phenylmethyl)piperidin-1-ium-3-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-1-(phenylmethyl)piperidin-1-ium-3-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-1-methyl-piperidin-1-ium-3-one; trifluoromethanesulfonate CAS Name: 1-methyl-1-(phenylmethyl)-3-piperidin-1-iumone; trifluoromethanesulfonate IUPAC Name: 1-benzyl-1-methylpiperidin-1-ium-3-one; trifluoromethanesulfonate Traditional Name: 1-benzyl-1-methyl-piperidin-1-ium-3-one triflate Formula: C14H18F3NO4S MolecularWeight: 353.35723

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(=O)C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC(=O)C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H18NO.CHF3O3S/c1-14(9-5-8-13(15)11-14)10-12-6-3-2-4-7-12;2-1(3,4)8(5,6)7/h2-4,6-7H,5,8-11H2,1H3;(H,5,6,7)/q+1;/p-1