2-[4-[2-(2-bromophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-bromophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(2-bromophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-[(2-bromophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(2-bromophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-[(2-bromophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C22H27BrN3O2S+ MolecularWeight: 477.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=C3Br

InChI

InChI=1S/C22H26BrN3O2S/c1-16-6-5-7-17(2)22(16)24-20(27)14-25-10-12-26(13-11-25)21(28)15-29-19-9-4-3-8-18(19)23/h3-9H,10-15H2,1-2H3,(H,24,27)/p+1