1-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]piperidin-1-ium chloride

Systemtic Name: 1-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]piperidin-1-ium chloride Openeye Name: 1-[[4-(o-tolyl)-2-phenyl-4H-chromen-3-yl]methyl]piperidin-1-ium chloride CAS Name: 1-[[4-(2-methylphenyl)-2-phenyl-4H-1-benzopyran-3-yl]methyl]piperidin-1-ium chloride IUPAC Name: 1-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]piperidin-1-ium chloride Traditional Name: 1-[[4-(o-tolyl)-2-phenyl-4H-chromen-3-yl]methyl]piperidin-1-ium chloride Formula: C28H30ClNO MolecularWeight: 431.9969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC=CC=C3OC(=C2C[NH+]4CCCCC4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC=CC=C3OC(=C2C[NH+]4CCCCC4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C28H29NO.ClH/c1-21-12-6-7-15-23(21)27-24-16-8-9-17-26(24)30-28(22-13-4-2-5-14-22)25(27)20-29-18-10-3-11-19-29;/h2,4-9,12-17,27H,3,10-11,18-20H2,1H3;1H