(3S)-N-(4-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-fluorophenyl)-1-[1-(2-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-fluorophenyl)-1-[1-(2-pyridinylmethyl)-4-piperidinyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-fluorophenyl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-[1-(2-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-yl]amine Formula: C22H30FN4+ MolecularWeight: 369.498803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC=CC=N3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC=CC=N3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H29FN4/c23-18-6-8-19(9-7-18)25-21-5-3-13-27(17-21)22-10-14-26(15-11-22)16-20-4-1-2-12-24-20/h1-2,4,6-9,12,21-22,25H,3,5,10-11,13-17H2/p+1/t21-/m0/s1