(1S)-1-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: (1S)-1-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: (1S)-1-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: (1S)-1-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: (1S)-1-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: (1S)-1-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(C3=CC=CC=C3)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)C[C@H](C3=CC=CC=C3)O)C)C

InChI

InChI=1S/C22H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)28(26,27)24-12-10-23(11-13-24)15-21(25)20-8-6-5-7-9-20/h5-9,14,21,25H,10-13,15H2,1-4H3/p+1/t21-/m1/s1