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

Systemtic Name: (3R)-3-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]butanoate Openeye Name: (3R)-3-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]butanoate CAS Name: (3R)-3-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]butanoate IUPAC Name: (3R)-3-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]butanoate Traditional Name: (3R)-3-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]butyrate Formula: C14H18BrClN2O4S MolecularWeight: 425.72572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrClN2O4S/c1-10(8-14(19)20)17-4-6-18(7-5-17)23(21,22)13-3-2-11(15)9-12(13)16/h2-3,9-10H,4-8H2,1H3,(H,19,20)/t10-/m1/s1