6-(2,5-dimethylfuran-3-yl)-2-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(2,5-dimethylfuran-3-yl)-2-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2,5-dimethyl-3-furyl)-2-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2,5-dimethyl-3-furanyl)-2-[4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-2-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2,5-dimethyl-3-furyl)-2-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)CN4CC[NH+](CC4)C

InChI

InChI=1S/C22H26N4O2/c1-15-12-19(16(2)28-15)20-13-21(27)24-22(23-20)18-6-4-17(5-7-18)14-26-10-8-25(3)9-11-26/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24,27)/p+1