N-cyclohexyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-cyclohexyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-cyclohexyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide CAS Name: N-cyclohexyl-2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-cyclohexyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-cyclohexyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C21H28FN4O2+ MolecularWeight: 387.471023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H27FN4O2/c22-17-8-4-5-9-19(17)26-12-10-25(11-13-26)14-20-24-18(15-28-20)21(27)23-16-6-2-1-3-7-16/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,23,27)/p+1