N-(2-ethylphenyl)-2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[3-(p-tolylsulfanyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[3-[(4-methylphenyl)thio]-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[3-(p-tolylthio)propanoyl]piperazin-1-ium-1-yl]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)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C24H31N3O2S/c1-3-20-6-4-5-7-22(20)25-23(28)18-26-13-15-27(16-14-26)24(29)12-17-30-21-10-8-19(2)9-11-21/h4-11H,3,12-18H2,1-2H3,(H,25,28)/p+1