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

Systemtic Name: 1-[[4-(4-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl]piperidin-1-ium Openeye Name: 1-[[4-(p-tolyl)-2-(2-thienyl)-4H-chromen-3-yl]methyl]piperidin-1-ium CAS Name: 1-[[4-(4-methylphenyl)-2-thiophen-2-yl-4H-1-benzopyran-3-yl]methyl]piperidin-1-ium IUPAC Name: 1-[[4-(4-methylphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl]piperidin-1-ium Traditional Name: 1-[[4-(p-tolyl)-2-(2-thienyl)-4H-chromen-3-yl]methyl]piperidin-1-ium Formula: C26H28NOS+ MolecularWeight: 402.57162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C[NH+]4CCCCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C[NH+]4CCCCC4)C5=CC=CS5

InChI

InChI=1S/C26H27NOS/c1-19-11-13-20(14-12-19)25-21-8-3-4-9-23(21)28-26(24-10-7-17-29-24)22(25)18-27-15-5-2-6-16-27/h3-4,7-14,17,25H,2,5-6,15-16,18H2,1H3/p+1