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

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H24N2O4S/c23-27(24,18-7-8-19-20(13-18)26-12-11-25-19)21-14-16-5-1-2-6-17(16)15-22-9-3-4-10-22/h1-2,5-8,13,21H,3-4,9-12,14-15H2/p+1