N-(1,3-benzodioxol-5-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: piperonyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O4S/c21-25(22,20-7-1-2-8-20)14-4-6-17(19-11-14)18-10-13-3-5-15-16(9-13)24-12-23-15/h3-6,9,11H,1-2,7-8,10,12H2,(H,18,19)/p+1