1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidin-1-ium

Systemtic Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidin-1-ium Openeye Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidin-1-ium CAS Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]pyrrolidin-1-ium IUPAC Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidin-1-ium Traditional Name: 1-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidin-1-ium Formula: C28H26NO+ MolecularWeight: 392.51214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2OC1(C3=CC=CC=C3)[NH+]4CCCC4)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2O[C@@]1(C3=CC=CC=C3)[NH+]4CCCC4)C#CC5=CC=CC=C5

InChI

InChI=1S/C28H25NO/c1-22-25(19-18-23-12-4-2-5-13-23)26-16-8-9-17-27(26)30-28(22,29-20-10-11-21-29)24-14-6-3-7-15-24/h2-9,12-17H,10-11,20-21H2,1H3/p+1/t28-/m0/s1