N-(4-chloranyl-2-fluoranyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C18H19ClFN2O+ MolecularWeight: 333.807663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H18ClFN2O/c19-15-7-8-17(16(20)11-15)21-18(23)14-5-3-13(4-6-14)12-22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,21,23)/p+1