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

Systemtic Name: N-(2-phenoxyethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-(2-phenoxyethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-(2-phenoxyethyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-(2-phenoxyethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-(2-phenoxyethyl)-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:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCOC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCOC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O3/c28-20(22-9-14-29-17-5-2-1-3-6-17)18-16-30-19(25-18)15-26-10-12-27(13-11-26)21-23-7-4-8-24-21/h1-8,16H,9-15H2,(H,22,28)/p+1