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

Systemtic Name: 7-oxidanyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-hydroxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=NC=CC=N4

InChI

InChI=1S/C18H18N4O3/c23-14-2-3-15-13(10-17(24)25-16(15)11-14)12-21-6-8-22(9-7-21)18-19-4-1-5-20-18/h1-5,10-11,23H,6-9,12H2/p+1