1-(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)urea; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)urea; tris(fluoranyl)methanesulfonate Openeye Name: (10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)urea; trifluoromethanesulfonate CAS Name: (10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)urea; trifluoromethanesulfonate IUPAC Name: (10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)urea; trifluoromethanesulfonate Traditional Name: (10-propargyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)urea triflate Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C2CCCC(C2=CC3=CC=CC=C31)NC(=O)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C#CC[N+]1=C2CCCC(C2=CC3=CC=CC=C31)NC(=O)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H17N3O.CHF3O3S/c1-2-10-20-15-8-4-3-6-12(15)11-13-14(19-17(18)21)7-5-9-16(13)20;2-1(3,4)8(5,6)7/h1,3-4,6,8,11,14H,5,7,9-10H2,(H2-,18,19,21);(H,5,6,7)