azocan-1-yl-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone

Systemtic Name: azocan-1-yl-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone Openeye Name: azocan-1-yl-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxazol-4-yl]methanone CAS Name: 1-azocanyl-[2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methanone IUPAC Name: azocan-1-yl-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazol-4-yl]methanone Traditional Name: azocan-1-yl-[2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxazol-4-yl]methanone Formula: C22H30FN4O2+ MolecularWeight: 401.497603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H29FN4O2/c23-18-8-4-5-9-20(18)26-14-12-25(13-15-26)16-21-24-19(17-29-21)22(28)27-10-6-2-1-3-7-11-27/h4-5,8-9,17H,1-3,6-7,10-16H2/p+1