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

Systemtic Name: 4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-coumarin Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C21H22N2O4/c1-14-19(25)7-6-18-15(12-20(26)27-21(14)18)13-22-8-10-23(11-9-22)16-2-4-17(24)5-3-16/h2-7,12,24-25H,8-11,13H2,1H3/p+1