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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

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