2-[4-[2-(2-bromophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=C3Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=C3Br

InChI

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