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

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)oxazole-4-carboxamide CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-4-oxazolecarboxamide IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-(2-piperidin-1-ium-1-ylethyl)oxazole-4-carboxamide Formula: C22H32FN5O2+2 MolecularWeight: 417.520183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H30FN5O2/c23-18-6-2-3-7-20(18)28-14-12-27(13-15-28)16-21-25-19(17-30-21)22(29)24-8-11-26-9-4-1-5-10-26/h2-3,6-7,17H,1,4-5,8-16H2,(H,24,29)/p+2