2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=CC=N4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=CC=N4)C)OC

InChI

InChI=1S/C22H27N5O2/c1-15-13-20(28-4)16(2)12-18(15)21-25-19(17(3)29-21)14-26-8-10-27(11-9-26)22-23-6-5-7-24-22/h5-7,12-13H,8-11,14H2,1-4H3/p+1