N,N-dimethyl-1-[(Z)-oct-2-en-3-yl]pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: N,N-dimethyl-1-[(Z)-oct-2-en-3-yl]pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-[(1Z)-1-ethylidenehexyl]-N,N-dimethyl-pyridin-1-ium-4-amine; trifluoromethanesulfonate CAS Name: N,N-dimethyl-1-[(Z)-oct-2-en-3-yl]-4-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: N,N-dimethyl-1-[(Z)-oct-2-en-3-yl]pyridin-1-ium-4-amine; trifluoromethanesulfonate Traditional Name: [1-[(Z)-1-amylprop-1-enyl]pyridin-1-ium-4-yl]-dimethyl-amine triflate Formula: C16H25F3N2O3S MolecularWeight: 382.44151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C(=C/C)/[N+]1=CC=C(C=C1)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H25N2.CHF3O3S/c1-5-7-8-9-14(6-2)17-12-10-15(11-13-17)16(3)4;2-1(3,4)8(5,6)7/h6,10-13H,5,7-9H2,1-4H3;(H,5,6,7)/q+1;/p-1/b14-6-;