3-acetamido-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-acetamido-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 3-acetamido-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: 3-acetamido-N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 3-acetamido-N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 3-acetamido-N-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]benzamide Formula: C21H24ClFN3O2+ MolecularWeight: 404.885563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H23ClFN3O2/c1-14(27)24-17-5-2-4-15(12-17)21(28)25-16-8-10-26(11-9-16)13-18-19(22)6-3-7-20(18)23/h2-7,12,16H,8-11,13H2,1H3,(H,24,27)(H,25,28)/p+1