1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]but-2-yn-1-one CAS Name: 1-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]but-2-yn-1-one Formula: C19H25FN3O+ MolecularWeight: 330.419703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O/c1-2-4-19(24)23-10-3-5-18(15-23)22-13-11-21(12-14-22)17-8-6-16(20)7-9-17/h6-9,18H,3,5,10-15H2,1H3/p+1/t18-/m0/s1