N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-bromanyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-bromo-2-[(2-chlorophenyl)-oxomethyl]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H21BrClN2O2+ MolecularWeight: 436.74994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20BrClN2O2/c21-14-8-9-18(23-19(25)13-24-10-4-1-5-11-24)16(12-14)20(26)15-6-2-3-7-17(15)22/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,25)/p+1