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

Systemtic Name: 4-[[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium Openeye Name: 4-[[(4R)-2-phenyl-4-(p-tolyl)-4H-chromen-3-yl]methyl]morpholin-4-ium CAS Name: 4-[[(4R)-4-(4-methylphenyl)-2-phenyl-4H-1-benzopyran-3-yl]methyl]morpholin-4-ium IUPAC Name: 4-[[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium Traditional Name: 4-[[(4R)-2-phenyl-4-(p-tolyl)-4H-chromen-3-yl]methyl]morpholin-4-ium Formula: C27H28NO2+ MolecularWeight: 398.51672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C3=CC=CC=C3OC(=C2C[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H27NO2/c1-20-11-13-21(14-12-20)26-23-9-5-6-10-25(23)30-27(22-7-3-2-4-8-22)24(26)19-28-15-17-29-18-16-28/h2-14,26H,15-19H2,1H3/p+1/t26-/m1/s1