N-(2-ethylphenyl)-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(E)-3-[4-(methylthio)phenyl]acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-3-20-6-4-5-7-22(20)25-23(28)18-26-14-16-27(17-15-26)24(29)13-10-19-8-11-21(30-2)12-9-19/h4-13H,3,14-18H2,1-2H3,(H,25,28)/p+1/b13-10+