6-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylamino)-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-(piperonylamino)pyridin-1-ium-3-sulfonamide Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-2-24(17-6-4-3-5-7-17)29(25,26)18-9-11-21(23-14-18)22-13-16-8-10-19-20(12-16)28-15-27-19/h3-12,14H,2,13,15H2,1H3,(H,22,23)/p+1