[4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(3-fluorophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Formula: C21H28FN2O+ MolecularWeight: 343.458223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O/c22-19-3-1-2-18(11-19)20(25)23-4-6-24(7-5-23)21-12-15-8-16(13-21)10-17(9-15)14-21/h1-3,11,15-17H,4-10,12-14H2/p+1