2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(p-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[2-[(4-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSCC3=CC=C(C=C3)C

InChI

InChI=1S/C24H33N3O2S/c1-3-29-23-7-5-4-6-22(23)27-15-13-26(14-16-27)18-24(28)25-12-17-30-19-21-10-8-20(2)9-11-21/h4-11H,3,12-19H2,1-2H3,(H,25,28)/p+1