1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pent-4-en-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pent-4-en-1-one Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]pent-4-en-1-one CAS Name: 1-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-4-penten-1-one IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pent-4-en-1-one Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]pent-4-en-1-one Formula: C20H29FN3O+ MolecularWeight: 346.462163

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN3O/c1-2-3-6-20(25)24-11-4-5-19(16-24)23-14-12-22(13-15-23)18-9-7-17(21)8-10-18/h2,7-10,19H,1,3-6,11-16H2/p+1/t19-/m0/s1