(2R)-2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxy-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-isopropyl-6-methyl-pyrimidin-4-yl)oxy-propan-1-one CAS Name: (2R)-2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)oxy]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-isopropyl-6-methyl-pyrimidin-4-yl)oxy-propan-1-one Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)OC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)O[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-16(2)21-23-17(3)14-20(24-21)28-18(4)22(27)26-12-10-25(11-13-26)15-19-8-6-5-7-9-19/h5-9,14,16,18H,10-13,15H2,1-4H3/p+1/t18-/m1/s1