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

Systemtic Name: 6-(methoxymethyl)-2-[3-[[(2R)-3-oxidanylidene-2-propan-2-yl-piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(2R)-2-isopropyl-3-oxo-piperazin-1-ium-1-yl]methyl]phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one CAS Name: 6-(methoxymethyl)-2-[3-[[(2R)-3-oxo-2-propan-2-yl-1-piperazin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(methoxymethyl)-2-[3-[[(2R)-3-oxo-2-propan-2-ylpiperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(2R)-2-isopropyl-3-keto-piperazin-1-ium-1-yl]methyl]phenyl]-6-(methoxymethyl)-1H-pyrimidin-4-one Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)COC

Isomeric SMILES

CC(C)[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)COC

InChI

InChI=1S/C20H26N4O3/c1-13(2)18-20(26)21-7-8-24(18)11-14-5-4-6-15(9-14)19-22-16(12-27-3)10-17(25)23-19/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3,(H,21,26)(H,22,23,25)/p+1/t18-/m1/s1