ethyl N-[5-butyl-3-(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl N-[5-butyl-3-(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl N-[5-butyl-3-(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate; trifluoromethanesulfonate CAS Name: N-[5-butyl-3-(ethoxycarbonylamino)-6-phenyl-8-phenanthridin-5-iumyl]carbamic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl N-[5-butyl-3-(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-8-yl]carbamate; trifluoromethanesulfonate Traditional Name: N-[5-butyl-3-(carbethoxyamino)-6-phenyl-phenanthridin-5-ium-8-yl]carbamic acid ethyl ester triflate Formula: C30H32F3N3O7S MolecularWeight: 635.65119

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)OCC)NC(=O)OCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)OCC)NC(=O)OCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H31N3O4.CHF3O3S/c1-4-7-17-32-26-19-22(31-29(34)36-6-3)14-16-24(26)23-15-13-21(30-28(33)35-5-2)18-25(23)27(32)20-11-9-8-10-12-20;2-1(3,4)8(5,6)7/h8-16,18-19H,4-7,17H2,1-3H3,(H,30,33);(H,5,6,7)