2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-[(3,4-dimethylphenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C24H31N3O2S/c1-4-20-7-5-6-8-22(20)25-23(28)16-26-11-13-27(14-12-26)24(29)17-30-21-10-9-18(2)19(3)15-21/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,25,28)/p+1