2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]acetamide Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC(=CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC(=CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H24N2O2S/c1-2-15-27-21-6-4-3-5-20(21)23-22(26)16-24-13-11-18(12-14-24)17-7-9-19(25)10-8-17/h2-11,25H,1,12-16H2,(H,23,26)/p+1