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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4)O

InChI

InChI=1S/C20H22N4O3/c1-2-14-10-16-15(11-19(26)27-18(16)12-17(14)25)13-23-6-8-24(9-7-23)20-21-4-3-5-22-20/h3-5,10-12,25H,2,6-9,13H2,1H3/p+1