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

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(4-methoxy-3-methylphenyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(4-methoxy-3-methylphenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(4-methoxy-3-methyl-phenyl)-5-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=C(O2)C)C[NH+]3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C21H25N5O2/c1-15-13-17(5-6-19(15)27-3)20-24-18(16(2)28-20)14-25-9-11-26(12-10-25)21-22-7-4-8-23-21/h4-8,13H,9-12,14H2,1-3H3/p+1