N-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]adamantane-1-carboxamide Formula: C22H31FN3O+ MolecularWeight: 372.499443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5F

InChI

InChI=1S/C22H30FN3O/c23-19-3-1-2-4-20(19)26-7-5-25(6-8-26)15-24-21(27)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2,(H,24,27)/p+1