N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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