3-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: 3-[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:

C1CN(CC[NH+]1CCC(=O)N)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C13H17BrClN3O3S/c14-10-1-2-12(11(15)9-10)22(20,21)18-7-5-17(6-8-18)4-3-13(16)19/h1-2,9H,3-8H2,(H2,16,19)/p+1