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

Systemtic Name: 4-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium Openeye Name: 4-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium CAS Name: 4-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]morpholin-4-ium IUPAC Name: 4-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium Traditional Name: 4-[(2R)-2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]morpholin-4-ium Formula: C29H28NO3+ MolecularWeight: 438.53752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO3/c1-22-26(17-12-23-8-4-3-5-9-23)27-10-6-7-11-28(27)33-29(22,30-18-20-32-21-19-30)24-13-15-25(31-2)16-14-24/h3-11,13-16H,18-21H2,1-2H3/p+1/t29-/m0/s1