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

Systemtic Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[methyl(piperonyl)amino]pyridin-1-ium-3-sulfonamide Formula: C14H16N3O4S+ MolecularWeight: 322.35954

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-17(14-5-3-11(7-16-14)22(15,18)19)8-10-2-4-12-13(6-10)21-9-20-12/h2-7H,8-9H2,1H3,(H2,15,18,19)/p+1