2-[2-[[4-(furan-3-ylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[[4-(furan-3-ylcarbonyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[[4-(furan-3-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-[[4-[3-furanyl(oxo)methyl]-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[[4-(furan-3-carbonyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[2-[[4-(3-furoyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCN(CC3)C(=O)C4=COC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCN(CC3)C(=O)C4=COC=C4

InChI

InChI=1S/C22H24N4O3/c1-16-13-20(27)24-21(23-16)19-6-3-2-5-17(19)14-25-8-4-9-26(11-10-25)22(28)18-7-12-29-15-18/h2-3,5-7,12-13,15H,4,8-11,14H2,1H3,(H,23,24,27)/p+1