6-methyl-2-[3-[[4-(pyrimidin-2-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[3-[[4-(pyrimidin-2-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[3-[[4-(pyrimidin-2-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-[[4-(2-pyrimidinylamino)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[3-[[4-(pyrimidin-2-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[3-[[4-(2-pyrimidylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)NC4=NC=CC=N4

InChI

InChI=1S/C21H24N6O/c1-15-12-19(28)26-20(24-15)17-5-2-4-16(13-17)14-27-10-6-18(7-11-27)25-21-22-8-3-9-23-21/h2-5,8-9,12-13,18H,6-7,10-11,14H2,1H3,(H,22,23,25)(H,24,26,28)/p+1