ethyl-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium

Systemtic Name: ethyl-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Openeye Name: ethyl-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium CAS Name: ethyl-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidinyl]methyl]ammonium IUPAC Name: ethyl-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]azanium Traditional Name: ethyl-(5-fluoro-2-pyrazol-1-yl-benzyl)-[[1-(1-methylpiperidin-1-ium-4-yl)-4-piperidyl]methyl]ammonium Formula: C24H38FN5+2 MolecularWeight: 415.590423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

CC[NH+](CC1CCN(CC1)C2CC[NH+](CC2)C)CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C24H36FN5/c1-3-28(19-21-17-22(25)5-6-24(21)30-12-4-11-26-30)18-20-7-15-29(16-8-20)23-9-13-27(2)14-10-23/h4-6,11-12,17,20,23H,3,7-10,13-16,18-19H2,1-2H3/p+2