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

Systemtic Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[(3S)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-3-phenyl-prop-2-yn-1-one Formula: C24H27FN3O+ MolecularWeight: 392.489083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C#CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H26FN3O/c25-22-10-4-5-11-23(22)27-17-15-26(16-18-27)21-9-6-14-28(19-21)24(29)13-12-20-7-2-1-3-8-20/h1-5,7-8,10-11,21H,6,9,14-19H2/p+1/t21-/m0/s1