(2R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

Systemtic Name: (2R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol Openeye Name: (2R)-1-tert-butoxy-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-3-[(2-methylpropan-2-yl)oxy]-2-propanol IUPAC Name: (2R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol Traditional Name: (2R)-1-tert-butoxy-3-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H33N2O5S+ MolecularWeight: 401.54072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC(C)(C)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COC(C)(C)C)O

InChI

InChI=1S/C19H32N2O5S/c1-5-25-17-6-8-18(9-7-17)27(23,24)21-12-10-20(11-13-21)14-16(22)15-26-19(2,3)4/h6-9,16,22H,5,10-15H2,1-4H3/p+1/t16-/m1/s1