6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide CAS Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-pyridinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-pyridin-2-ylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[methyl(piperonyl)amino]-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide Formula: C19H19N4O4S+ MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

InChI

InChI=1S/C19H18N4O4S/c1-23(12-14-5-7-16-17(10-14)27-13-26-16)19-8-6-15(11-21-19)28(24,25)22-18-4-2-3-9-20-18/h2-11H,12-13H2,1H3,(H,20,22)/p+1