N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,4,6-trimethylphenyl)sulfanyl-acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[(2,4,6-trimethylphenyl)thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,4,6-trimethylphenyl)sulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(mesitylthio)acetamide Formula: C23H32N3OS+ MolecularWeight: 398.58468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H31N3OS/c1-5-25-10-12-26(13-11-25)21-8-6-20(7-9-21)24-22(27)16-28-23-18(3)14-17(2)15-19(23)4/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,24,27)/p+1