[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium

Systemtic Name: [1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: [1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [1-[2-(4-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium Formula: C25H32FN3+2 MolecularWeight: 393.540083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H30FN3/c1-28(19-23-4-2-3-22-17-27-13-9-25(22)23)18-21-11-15-29(16-12-21)14-10-20-5-7-24(26)8-6-20/h2-9,13,17,21H,10-12,14-16,18-19H2,1H3/p+2