N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-isoquinoline-3-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-isoquinoline-3-carboxamide CAS Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methylisoquinoline-3-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-isoquinoline-3-carboxamide Formula: C25H29FN3O+ MolecularWeight: 406.515663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C25H28FN3O/c1-28(25(30)24-15-21-6-2-3-7-22(21)16-27-24)17-20-5-4-13-29(18-20)14-12-19-8-10-23(26)11-9-19/h2-3,6-11,15-16,20H,4-5,12-14,17-18H2,1H3/p+1/t20-/m1/s1