N-butyl-4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N-butyl-4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-N-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxamide; trifluoromethanesulfonate CAS Name: N-butyl-4,6-diphenyl-1-(phenylmethyl)-2-pyridin-1-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 1-benzyl-N-butyl-4,6-diphenylpyridin-1-ium-2-carboxamide; trifluoromethanesulfonate Traditional Name: 1-benzyl-N-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxamide triflate Formula: C30H29F3N2O4S MolecularWeight: 570.62247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC(=[N+]1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC(=[N+]1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H28N2O.CHF3O3S/c1-2-3-19-30-29(32)28-21-26(24-15-9-5-10-16-24)20-27(25-17-11-6-12-18-25)31(28)22-23-13-7-4-8-14-23;2-1(3,4)8(5,6)7/h4-18,20-21H,2-3,19,22H2,1H3;(H,5,6,7)