1-(4-fluorophenyl)-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(4-fluorophenyl)-4-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(4-fluorophenyl)-4-[(3S)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(4-fluorophenyl)-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(4-fluorophenyl)-4-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]piperazine Formula: C25H31FN5+ MolecularWeight: 420.545543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CC=CC=N3)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CC=CC=N3)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H30FN5/c26-21-8-10-22(11-9-21)29-15-17-30(18-16-29)23-5-3-13-28(19-23)20-24-6-4-14-31(24)25-7-1-2-12-27-25/h1-2,4,6-12,14,23H,3,5,13,15-20H2/p+1/t23-/m0/s1