N-[3-(3-fluorophenyl)phenyl]-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-fluorophenyl)phenyl]-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-fluorophenyl)phenyl]-1-(5-isoquinolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-fluorophenyl)phenyl]-1-(5-isoquinolinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-fluorophenyl)phenyl]-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-(5-isoquinolylmethyl)piperidin-1-ium-4-carboxamide Formula: C28H27FN3O+ MolecularWeight: 440.531883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H26FN3O/c29-25-8-2-4-21(16-25)22-5-3-9-26(17-22)31-28(33)20-11-14-32(15-12-20)19-24-7-1-6-23-18-30-13-10-27(23)24/h1-10,13,16-18,20H,11-12,14-15,19H2,(H,31,33)/p+1