(2R)-1-phenoxy-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-phenoxy-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-phenoxy-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-phenoxy-3-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-phenoxy-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-phenoxy-3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Formula: C23H33N2O4S+ MolecularWeight: 433.58412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=CC=C3)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=CC=CC=C3)O)C)C

InChI

InChI=1S/C23H32N2O4S/c1-17-14-18(2)20(4)23(19(17)3)30(27,28)25-12-10-24(11-13-25)15-21(26)16-29-22-8-6-5-7-9-22/h5-9,14,21,26H,10-13,15-16H2,1-4H3/p+1/t21-/m1/s1