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

Systemtic Name: 2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O/c1-25-9-11-26(12-10-25)15-16-3-2-4-18(13-16)21-23-19(14-20(27)24-21)17-5-7-22-8-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,23,24,27)/p+1