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

Systemtic Name: N-cyclopentyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-cyclopentyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-cyclopentyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-cyclopentyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-cyclopentyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H24N6O2/c25-17(21-14-4-1-2-5-14)15-13-26-16(22-15)12-23-8-10-24(11-9-23)18-19-6-3-7-20-18/h3,6-7,13-14H,1-2,4-5,8-12H2,(H,21,25)/p+1