(1S)-1-phenyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: (1S)-1-phenyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: (1S)-1-phenyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: (1S)-1-phenyl-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: (1S)-1-phenyl-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: (1S)-1-phenyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)O)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c23-20(19-9-5-2-6-10-19)17-21-12-14-22(15-13-21)26(24,25)16-11-18-7-3-1-4-8-18/h1-11,16,20,23H,12-15,17H2/p+1/b16-11+/t20-/m1/s1