3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O2/c1-16-6-2-4-8-19(16)23-12-10-22(11-13-23)14-17-15-25-20-9-5-3-7-18(20)21(17)24/h2-9,15H,10-14H2,1H3/p+1