(3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(5-fluoro-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]amine Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)F)N3C=CC=N3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)F)N3C=CC=N3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23FN4O2/c23-17-4-6-20(27-10-2-8-24-27)16(11-17)13-26-9-1-3-19(14-26)25-18-5-7-21-22(12-18)29-15-28-21/h2,4-8,10-12,19,25H,1,3,9,13-15H2/p+1/t19-/m0/s1