[4-(2-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(3-fluorophenyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(2-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+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC(=CC=C5)F

InChI

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