(1S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-phenyl-ethanol

Systemtic Name: (1S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-phenylethanol Traditional Name: (1S)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C2=CC=CC=C2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H24N2O3S/c25-22(19-7-2-1-3-8-19)17-23-12-14-24(15-13-23)28(26,27)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16,22,25H,12-15,17H2/p+1/t22-/m1/s1