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

Systemtic Name: 4-[[4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium chloride Openeye Name: 4-[[2-phenyl-4-(p-tolyl)-4H-chromen-3-yl]methyl]morpholin-4-ium chloride CAS Name: 4-[[4-(4-methylphenyl)-2-phenyl-4H-1-benzopyran-3-yl]methyl]morpholin-4-ium chloride IUPAC Name: 4-[[4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium chloride Traditional Name: 4-[[2-phenyl-4-(p-tolyl)-4H-chromen-3-yl]methyl]morpholin-4-ium chloride Formula: C27H28ClNO2 MolecularWeight: 433.96972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO2.ClH/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;1H