4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H22N2O3/c1-15-4-2-3-5-19(15)23-10-8-22(9-11-23)14-16-12-21(25)26-20-13-17(24)6-7-18(16)20/h2-7,12-13,24H,8-11,14H2,1H3/p+1