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

Systemtic Name: (2S)-N-[4-bromanyl-2,6-bis(chloranyl)phenyl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-bromo-2,6-dichloro-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-bromo-2,6-dichlorophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-bromo-2,6-dichlorophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-bromo-2,6-dichloro-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H17BrCl2N3O+ MolecularWeight: 382.10358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1Cl)Br)Cl)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1Cl)Br)Cl)N2CC[NH2+]CC2

InChI

InChI=1S/C13H16BrCl2N3O/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