1-ethyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-2-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-ethyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-2-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: 1-ethyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-2-carboxamide; trifluoromethanesulfonate CAS Name: 1-ethyl-N-[(4-tetradecoxyphenyl)methyl]-2-pyridin-1-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 1-ethyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-2-carboxamide; trifluoromethanesulfonate Traditional Name: 1-ethyl-N-(4-myristyloxybenzyl)pyridin-1-ium-2-carboxamide triflate Formula: C30H45F3N2O5S MolecularWeight: 602.74891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H44N2O2.CHF3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-33-27-21-19-26(20-22-27)25-30-29(32)28-18-15-16-23-31(28)4-2;2-1(3,4)8(5,6)7/h15-16,18-23H,3-14,17,24-25H2,1-2H3;(H,5,6,7)