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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O/c22-18-3-5-19(6-4-18)24-12-14-25(15-13-24)20-2-1-11-26(16-20)21(27)17-7-9-23-10-8-17/h3-10,20H,1-2,11-16H2/p+1/t20-/m0/s1