methyl 1-(2-chloroethyl)-4-methoxy-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 1-(2-chloroethyl)-4-methoxy-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 1-(2-chloroethyl)-4-methoxy-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-(2-chloroethyl)-4-methoxy-2-pyridin-1-iumcarboxylic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 1-(2-chloroethyl)-4-methoxypyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-(2-chloroethyl)-4-methoxy-pyridin-1-ium-2-carboxylic acid methyl ester triflate Formula: C11H13ClF3NO6S MolecularWeight: 379.73723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=[N+](C=C1)CCCl)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=[N+](C=C1)CCCl)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13ClNO3.CHF3O3S/c1-14-8-3-5-12(6-4-11)9(7-8)10(13)15-2;2-1(3,4)8(5,6)7/h3,5,7H,4,6H2,1-2H3;(H,5,6,7)/q+1;/p-1