4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one Openeye Name: 7,8-dihydroxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7,8-dihydroxy-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dihydroxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dihydroxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4O)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4O)O

InChI

InChI=1S/C21H22N2O5/c1-27-18-5-3-2-4-16(18)23-10-8-22(9-11-23)13-14-12-19(25)28-21-15(14)6-7-17(24)20(21)26/h2-7,12,24,26H,8-11,13H2,1H3/p+1