3-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-2-propyl-imidazo[4,5-b]pyridine

Systemtic Name: 3-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-2-propyl-imidazo[4,5-b]pyridine Openeye Name: 3-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-2-propyl-imidazo[4,5-b]pyridine CAS Name: 3-[1-[(3-fluorophenyl)methyl]-4-piperidin-1-iumyl]-2-propylimidazo[4,5-b]pyridine IUPAC Name: 3-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-2-propylimidazo[4,5-b]pyridine Traditional Name: 3-[1-(3-fluorobenzyl)piperidin-1-ium-4-yl]-2-propyl-imidazo[4,5-b]pyridine Formula: C21H26FN4+ MolecularWeight: 353.456343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC(=CC=C4)F)N=CC=C2

Isomeric SMILES

CCCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC(=CC=C4)F)N=CC=C2

InChI

InChI=1S/C21H25FN4/c1-2-5-20-24-19-8-4-11-23-21(19)26(20)18-9-12-25(13-10-18)15-16-6-3-7-17(22)14-16/h3-4,6-8,11,14,18H,2,5,9-10,12-13,15H2,1H3/p+1