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

Systemtic Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyridin-2-yl-methanone Openeye Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(2-pyridyl)methanone CAS Name: [(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-pyridinyl)methanone IUPAC Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone Traditional Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-(2-pyridyl)methanone Formula: C21H26FN4O+ MolecularWeight: 369.455743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN4O/c22-17-6-8-18(9-7-17)24-12-14-25(15-13-24)19-4-3-11-26(16-19)21(27)20-5-1-2-10-23-20/h1-2,5-10,19H,3-4,11-16H2/p+1/t19-/m0/s1