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

Systemtic Name: 4-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium Openeye Name: 4-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium CAS Name: 4-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]morpholin-4-ium IUPAC Name: 4-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium Traditional Name: 4-[(2R)-3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium Formula: C28H26NO2+ MolecularWeight: 408.51154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2OC1(C3=CC=CC=C3)[NH+]4CCOCC4)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2O[C@@]1(C3=CC=CC=C3)[NH+]4CCOCC4)C#CC5=CC=CC=C5

InChI

InChI=1S/C28H25NO2/c1-22-25(17-16-23-10-4-2-5-11-23)26-14-8-9-15-27(26)31-28(22,24-12-6-3-7-13-24)29-18-20-30-21-19-29/h2-15H,18-21H2,1H3/p+1/t28-/m0/s1