1-[(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-ethyl]piperidin-1-ium

Systemtic Name: 1-[(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-ethyl]piperidin-1-ium Openeye Name: 1-[(1S)-1-phenyl-2-(p-tolylsulfonyl)ethyl]piperidin-1-ium CAS Name: 1-[(1S)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidin-1-ium IUPAC Name: 1-[(1S)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidin-1-ium Traditional Name: 1-[(1S)-1-phenyl-2-tosyl-ethyl]piperidin-1-ium Formula: C20H26NO2S+ MolecularWeight: 344.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@H](C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C20H25NO2S/c1-17-10-12-19(13-11-17)24(22,23)16-20(18-8-4-2-5-9-18)21-14-6-3-7-15-21/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3/p+1/t20-/m1/s1