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

Systemtic Name: (3S)-N-(4-fluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-fluorophenyl)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-fluorophenyl)-1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-fluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]amine Formula: C22H31FN4+2 MolecularWeight: 370.506743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CN=CC=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CN=CC=C3)NC4=CC=C(C=C4)F

InChI

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