N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-benzenesulfonamide Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C20H24N2O5S/c1-25-16-5-7-17(8-6-16)28(23,24)21-13-18(22-10-2-3-11-22)15-4-9-19-20(12-15)27-14-26-19/h4-9,12,18,21H,2-3,10-11,13-14H2,1H3/p+1/t18-/m0/s1