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

Systemtic Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 5-methyl-2-(3-phenoxyphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(3-phenoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 5-methyl-2-(3-phenoxyphenyl)-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)OC3=CC=CC=C3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N5O2/c1-19-23(18-29-13-15-30(16-14-29)25-26-11-6-12-27-25)28-24(31-19)20-7-5-10-22(17-20)32-21-8-3-2-4-9-21/h2-12,17H,13-16,18H2,1H3/p+1