(2R)-N-(2-chloranyl-4-fluoranyl-phenyl)-2-isoquinolin-2-ium-2-yl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-4-fluoranyl-phenyl)-2-isoquinolin-2-ium-2-yl-propanamide Openeye Name: (2R)-N-(2-chloro-4-fluoro-phenyl)-2-isoquinolin-2-ium-2-yl-propanamide CAS Name: (2R)-N-(2-chloro-4-fluorophenyl)-2-(2-isoquinolin-2-iumyl)propanamide IUPAC Name: (2R)-N-(2-chloro-4-fluorophenyl)-2-isoquinolin-2-ium-2-ylpropanamide Traditional Name: (2R)-N-(2-chloro-4-fluoro-phenyl)-2-isoquinolin-2-ium-2-yl-propionamide Formula: C18H15ClFN2O+ MolecularWeight: 329.775903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)F)Cl)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H14ClFN2O/c1-12(18(23)21-17-7-6-15(20)10-16(17)19)22-9-8-13-4-2-3-5-14(13)11-22/h2-12H,1H3/p+1/t12-/m1/s1