2-[4-[(2S)-2-(4-bromanylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[(2S)-2-(4-bromanylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[(2S)-2-(4-bromophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[(2S)-2-(4-bromophenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[(2S)-2-(4-bromophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[(2S)-2-(4-bromophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C16H23BrN3O3+ MolecularWeight: 385.27612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC(=O)NC)OC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC(=O)NC)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrN3O3/c1-12(23-14-5-3-13(17)4-6-14)16(22)20-9-7-19(8-10-20)11-15(21)18-2/h3-6,12H,7-11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1