3-chloranyl-4-fluoranyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 3-chloro-4-fluoro-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 3-chloro-4-fluoro-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-chloro-4-fluoro-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 3-chloro-4-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=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN2O/c21-18-13-16(8-9-19(18)22)20(25)23-17-7-4-11-24(14-17)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,23,25)/p+1/t17-/m0/s1