2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C13H19BrN3O3S+ MolecularWeight: 377.27726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N)Br

InChI

InChI=1S/C13H18BrN3O3S/c1-10-8-11(2-3-12(10)14)21(19,20)17-6-4-16(5-7-17)9-13(15)18/h2-3,8H,4-7,9H2,1H3,(H2,15,18)/p+1