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

Systemtic Name: N-(cyclohexylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-(cyclohexylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-(cyclohexylmethyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-(cyclohexylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-(cyclohexylmethyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H28N6O2/c27-19(23-13-16-5-2-1-3-6-16)17-15-28-18(24-17)14-25-9-11-26(12-10-25)20-21-7-4-8-22-20/h4,7-8,15-16H,1-3,5-6,9-14H2,(H,23,27)/p+1