1-prop-2-enyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-prop-2-enyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-allyl-7-[2-(2-thienyl)ethynyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium; trifluoromethanesulfonate CAS Name: 1-prop-2-enyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-prop-2-enyl-7-(2-thiophen-2-ylethynyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium; trifluoromethanesulfonate Traditional Name: 1-allyl-7-[2-(2-thienyl)ethynyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium triflate Formula: C16H18F3NO3S2 MolecularWeight: 393.44423

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(CCCCC1)C#CC2=CC=CS2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C=CC[N+]1=C(CCCCC1)C#CC2=CC=CS2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H18NS.CHF3O3S/c1-2-11-16-12-5-3-4-7-14(16)9-10-15-8-6-13-17-15;2-1(3,4)8(5,6)7/h2,6,8,13H,1,3-5,7,11-12H2;(H,5,6,7)/q+1;/p-1