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

Systemtic Name: 6-ethyl-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4O)O

InChI

InChI=1S/C22H24N2O4/c1-2-15-11-17-16(12-22(27)28-21(17)13-20(15)26)14-23-7-9-24(10-8-23)18-5-3-4-6-19(18)25/h3-6,11-13,25-26H,2,7-10,14H2,1H3/p+1