N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-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+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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