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

Systemtic Name: 1-[[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl]piperidin-1-ium chloride Openeye Name: 1-[[4-(4-methoxyphenyl)-2-(2-thienyl)-4H-chromen-3-yl]methyl]piperidin-1-ium chloride CAS Name: 1-[[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1-benzopyran-3-yl]methyl]piperidin-1-ium chloride IUPAC Name: 1-[[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl]piperidin-1-ium chloride Traditional Name: 1-[[4-(4-methoxyphenyl)-2-(2-thienyl)-4H-chromen-3-yl]methyl]piperidin-1-ium chloride Formula: C26H28ClNO2S MolecularWeight: 454.02402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C[NH+]4CCCCC4)C5=CC=CS5.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C[NH+]4CCCCC4)C5=CC=CS5.[Cl-]

InChI

InChI=1S/C26H27NO2S.ClH/c1-28-20-13-11-19(12-14-20)25-21-8-3-4-9-23(21)29-26(24-10-7-17-30-24)22(25)18-27-15-5-2-6-16-27;/h3-4,7-14,17,25H,2,5-6,15-16,18H2,1H3;1H