N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2OS/c1-23(16-18-8-10-21(26-2)11-9-18)22(25)17-24-14-12-20(13-15-24)19-6-4-3-5-7-19/h3-12H,13-17H2,1-2H3/p+1