1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-prop-2-enyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-prop-2-enyl-piperidin-1-ium-4-carboxamide Openeye Name: N-allyl-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-prop-2-enyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-prop-2-enylpiperidin-1-ium-4-carboxamide Traditional Name: N-allyl-1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-carboxamide Formula: C16H21ClFN2O+ MolecularWeight: 311.802143

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C=CCNC(=O)C1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H20ClFN2O/c1-2-8-19-16(21)12-6-9-20(10-7-12)11-13-14(17)4-3-5-15(13)18/h2-5,12H,1,6-11H2,(H,19,21)/p+1