N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(2-benzoyl-4-bromo-phenyl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(2-benzoyl-4-bromophenyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(2-benzoyl-4-bromophenyl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(2-benzoyl-4-bromo-phenyl)-3-piperidin-1-ium-1-yl-propionamide Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O2/c22-17-9-10-19(18(15-17)21(26)16-7-3-1-4-8-16)23-20(25)11-14-24-12-5-2-6-13-24/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,23,25)/p+1