(2S)-2-piperazin-4-ium-1-yl-N-[2,4,6-tris(bromanyl)phenyl]propanamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-N-[2,4,6-tris(bromanyl)phenyl]propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,4,6-tribromophenyl)propanamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-N-(2,4,6-tribromophenyl)propanamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,4,6-tribromophenyl)propanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-(2,4,6-tribromophenyl)propionamide Formula: C13H17Br3N3O+ MolecularWeight: 471.00558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1Br)Br)Br)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1Br)Br)Br)N2CC[NH2+]CC2

InChI

InChI=1S/C13H16Br3N3O/c1-8(19-4-2-17-3-5-19)13(20)18-12-10(15)6-9(14)7-11(12)16/h6-8,17H,2-5H2,1H3,(H,18,20)/p+1/t8-/m0/s1