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

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]amine Formula: C21H25FN5+ MolecularWeight: 366.455103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5/c22-20-9-2-1-6-17(20)15-26-12-3-7-18(16-26)25-14-19-8-4-13-27(19)21-23-10-5-11-24-21/h1-2,4-6,8-11,13,18,25H,3,7,12,14-16H2/p+1/t18-/m0/s1