6-methyl-3-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-1-oxidanidyl-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium

Systemtic Name: 6-methyl-3-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-1-oxidanidyl-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium Openeye Name: 6-methyl-3-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-1-oxido-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium CAS Name: 6-methyl-3-[[2-[(1S)-1-(methylthio)ethyl]phenyl]seleno]-1-oxido-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium IUPAC Name: 6-methyl-3-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-1-oxido-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium Traditional Name: 6-methyl-3-[[2-[(1S)-1-(methylthio)ethyl]phenyl]seleno]-1-oxido-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium Formula: C21H25NOSSe MolecularWeight: 418.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(C(CC1)[Se]C2=CC=CC=C2C(C)SC)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=[N+](C(C(CC1)[Se]C2=CC=CC=C2[C@H](C)SC)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H25NOSSe/c1-15-13-14-20(21(22(15)23)17-9-5-4-6-10-17)25-19-12-8-7-11-18(19)16(2)24-3/h4-12,16,20-21H,13-14H2,1-3H3/t16-,20?,21?/m0/s1