6-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]pyridin-1-ium-3-sulfonamide Formula: C15H18N3O4S+ MolecularWeight: 336.38612

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C15H17N3O4S/c1-18(15-5-3-12(9-17-15)23(16,19)20)10-11-2-4-13-14(8-11)22-7-6-21-13/h2-5,8-9H,6-7,10H2,1H3,(H2,16,19,20)/p+1