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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[3-(methylthio)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[3-(methylthio)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-3-15-6-4-5-7-16(15)19-17(22)14-20-9-11-21(12-10-20)18(23)8-13-24-2/h4-7H,3,8-14H2,1-2H3,(H,19,22)/p+1