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

Systemtic Name: 2-[2-[(4-methyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[(4-methyl-3-oxo-piperazin-1-ium-1-yl)methyl]phenyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[2-[(4-methyl-3-oxo-1-piperazin-1-iumyl)methyl]phenyl]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[(4-methyl-3-oxopiperazin-1-ium-1-yl)methyl]phenyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[2-[(3-keto-4-methyl-piperazin-1-ium-1-yl)methyl]phenyl]-6-phenyl-1H-pyrimidin-4-one Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1=O)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](CC1=O)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2/c1-25-11-12-26(15-21(25)28)14-17-9-5-6-10-18(17)22-23-19(13-20(27)24-22)16-7-3-2-4-8-16/h2-10,13H,11-12,14-15H2,1H3,(H,23,24,27)/p+1