1-[(1R,2S)-1-naphthalen-1-yl-2-phenyl-2-(phenylsulfonyl)ethyl]piperidin-1-ium

Systemtic Name: 1-[(1R,2S)-1-naphthalen-1-yl-2-phenyl-2-(phenylsulfonyl)ethyl]piperidin-1-ium Openeye Name: 1-[(1R,2S)-2-(benzenesulfonyl)-1-(1-naphthyl)-2-phenyl-ethyl]piperidin-1-ium CAS Name: 1-[(1R,2S)-2-(benzenesulfonyl)-1-(1-naphthalenyl)-2-phenylethyl]piperidin-1-ium IUPAC Name: 1-[(1R,2S)-2-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenylethyl]piperidin-1-ium Traditional Name: 1-[(1R,2S)-2-besyl-1-(1-naphthyl)-2-phenyl-ethyl]piperidin-1-ium Formula: C29H30NO2S+ MolecularWeight: 456.619

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC3=CC=CC=C32)C(C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=CC3=CC=CC=C32)[C@H](C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H29NO2S/c31-33(32,25-17-6-2-7-18-25)29(24-14-4-1-5-15-24)28(30-21-10-3-11-22-30)27-20-12-16-23-13-8-9-19-26(23)27/h1-2,4-9,12-20,28-29H,3,10-11,21-22H2/p+1/t28-,29+/m1/s1