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

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-[[1-(2-pyridyl)pyrrol-2-yl]methyl]amine Formula: C22H26FN4+ MolecularWeight: 365.467043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NCC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NCC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C22H25FN4/c23-21-10-2-1-7-18(21)16-26-13-5-8-19(17-26)25-15-20-9-6-14-27(20)22-11-3-4-12-24-22/h1-4,6-7,9-12,14,19,25H,5,8,13,15-17H2/p+1/t19-/m0/s1