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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3OC(=C2C[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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