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

Systemtic Name: 6-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-methoxy-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-methoxy-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H20N4O3/c1-25-15-3-4-17-16(12-15)14(11-18(24)26-17)13-22-7-9-23(10-8-22)19-20-5-2-6-21-19/h2-6,11-12H,7-10,13H2,1H3/p+1