(1R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol CAS Name: (1R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-1-phenylethanol IUPAC Name: (1R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-phenylethanol Traditional Name: (1R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-phenyl-ethanol Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](C2=CC=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H24N2O5S/c23-18(16-4-2-1-3-5-16)15-21-8-10-22(11-9-21)28(24,25)17-6-7-19-20(14-17)27-13-12-26-19/h1-7,14,18,23H,8-13,15H2/p+1/t18-/m0/s1