(2R)-2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C13H18BrClN3O3S+ MolecularWeight: 411.72232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C[C@H](C(=O)N)[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C13H17BrClN3O3S/c1-9(13(16)19)17-4-6-18(7-5-17)22(20,21)12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H2,16,19)/p+1/t9-/m1/s1