6-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-4-one

Systemtic Name: 6-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-4-one Openeye Name: 6-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 6-methyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 6-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H20N4O2/c1-14-3-4-17-16(11-14)18(24)15(13-25-17)12-22-7-9-23(10-8-22)19-20-5-2-6-21-19/h2-6,11,13H,7-10,12H2,1H3/p+1