7-[(E)-2-(1,2-dimethyl-3,4-dihydro-2H-quinolin-7-yl)ethenyl]-2,3-bis(2,4,6-trimethylphenyl)indolizin-4-ium-1-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 7-[(E)-2-(1,2-dimethyl-3,4-dihydro-2H-quinolin-7-yl)ethenyl]-2,3-bis(2,4,6-trimethylphenyl)indolizin-4-ium-1-one; tris(fluoranyl)methanesulfonate Openeye Name: 7-[(E)-2-(1,2-dimethyl-3,4-dihydro-2H-quinolin-7-yl)vinyl]-2,3-bis(2,4,6-trimethylphenyl)indolizin-4-ium-1-one; trifluoromethanesulfonate CAS Name: 7-[(E)-2-(1,2-dimethyl-3,4-dihydro-2H-quinolin-7-yl)ethenyl]-2,3-bis(2,4,6-trimethylphenyl)-1-indolizin-4-iumone; trifluoromethanesulfonate IUPAC Name: 7-[(E)-2-(1,2-dimethyl-3,4-dihydro-2H-quinolin-7-yl)ethenyl]-2,3-bis(2,4,6-trimethylphenyl)indolizin-4-ium-1-one; trifluoromethanesulfonate Traditional Name: 7-[(E)-2-(1,2-dimethyl-3,4-dihydro-2H-quinolin-7-yl)vinyl]-2,3-dimesityl-indolizin-4-ium-1-one triflate Formula: C40H41F3N2O4S MolecularWeight: 702.82475

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C)C=C(C=C2)C=CC3=CC4=[N+](C=C3)C(=C(C4=O)C5=C(C=C(C=C5C)C)C)C6=C(C=C(C=C6C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1CCC2=C(N1C)C=C(C=C2)/C=C/C3=CC4=[N+](C=C3)C(=C(C4=O)C5=C(C=C(C=C5C)C)C)C6=C(C=C(C=C6C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C39H41N2O.CHF3O3S/c1-23-17-25(3)35(26(4)18-23)37-38(36-27(5)19-24(2)20-28(36)6)41-16-15-31(22-34(41)39(37)42)11-10-30-12-14-32-13-9-29(7)40(8)33(32)21-30;2-1(3,4)8(5,6)7/h10-12,14-22,29H,9,13H2,1-8H3;(H,5,6,7)/q+1;/p-1/b11-10+;