1-cyclopentyl-4-[[2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 1-cyclopentyl-4-[[2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 1-cyclopentyl-4-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-cyclopentyl-4-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-cyclopentyl-4-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 1-cyclopentyl-4-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+]3CCN(C(=O)C3)C4CCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+]3CCN(C(=O)C3)C4CCCC4

InChI

InChI=1S/C21H26FN3O3/c1-14-18(23-21(28-14)15-7-8-17(22)19(11-15)27-2)12-24-9-10-25(20(26)13-24)16-5-3-4-6-16/h7-8,11,16H,3-6,9-10,12-13H2,1-2H3/p+1