(2R)-1-naphthalen-2-yloxy-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-naphthalen-2-yloxy-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(2-naphthyloxy)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(2-naphthalenyloxy)-3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-naphthalen-2-yloxy-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-3-(2-naphthoxy)propan-2-ol Formula: C26H33N2O4S+ MolecularWeight: 469.61622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC4=CC=CC=C4C=C3)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC3=CC4=CC=CC=C4C=C3)O)C

InChI

InChI=1S/C26H32N2O4S/c1-19-14-20(2)26(21(3)15-19)33(30,31)28-12-10-27(11-13-28)17-24(29)18-32-25-9-8-22-6-4-5-7-23(22)16-25/h4-9,14-16,24,29H,10-13,17-18H2,1-3H3/p+1/t24-/m1/s1