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

Systemtic Name: 2-[2-[[(2R)-2-methyl-3-oxidanylidene-piperazin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[[(2R)-2-methyl-3-oxo-piperazin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one CAS Name: 2-[2-[[(2R)-2-methyl-3-oxo-1-piperazin-1-iumyl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[[(2R)-2-methyl-3-oxopiperazin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one Traditional Name: 2-[2-[[(2R)-3-keto-2-methyl-piperazin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-17-24(30)25-13-14-28(17)16-19-9-5-6-10-21(19)23-26-20(15-22(29)27-23)12-11-18-7-3-2-4-8-18/h2-10,15,17H,11-14,16H2,1H3,(H,25,30)(H,26,27,29)/p+1/t17-/m1/s1