2-[4-[2-(4-bromanylphenoxy)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(4-bromanylphenoxy)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(4-bromophenoxy)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(4-bromophenoxy)acetyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(4-bromophenoxy)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H25BrN3O3+ MolecularWeight: 447.3455

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)COC2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)COC2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O3/c22-16-6-8-19(9-7-16)28-15-21(27)24-18-10-12-25(13-11-18)14-20(26)23-17-4-2-1-3-5-17/h1-9,18H,10-15H2,(H,23,26)(H,24,27)/p+1