N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-p-anisyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O3/c1-29-17-5-3-16(4-6-17)13-24-20(28)18-15-30-19(25-18)14-26-9-11-27(12-10-26)21-22-7-2-8-23-21/h2-8,15H,9-14H2,1H3,(H,24,28)/p+1