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

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-(2-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(2-pyridinyl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-3-(2-pyridyl)propan-1-one Formula: C23H30FN4O+ MolecularWeight: 397.508903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CC=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=CC=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN4O/c24-19-6-9-21(10-7-19)26-14-16-27(17-15-26)22-5-3-13-28(18-22)23(29)11-8-20-4-1-2-12-25-20/h1-2,4,6-7,9-10,12,22H,3,5,8,11,13-18H2/p+1/t22-/m0/s1