1-adamantyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]ammonium Formula: C22H31FN3O+ MolecularWeight: 372.499443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

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