2-chloranyl-6-fluoranyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 2-chloranyl-6-fluoranyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 2-chloro-6-fluoro-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 2-chloro-6-fluoro-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-chloro-6-fluoro-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 2-chloro-6-fluoro-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C20H23ClFN2O+ MolecularWeight: 361.860823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O/c21-17-9-4-10-18(22)19(17)20(25)23-16-8-5-12-24(14-16)13-11-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11-14H2,(H,23,25)/p+1/t16-/m0/s1