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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C15H17N3O4S/c1-18(15-7-6-12(8-17-15)23(16,19)20)9-11-10-21-13-4-2-3-5-14(13)22-11/h2-8,11H,9-10H2,1H3,(H2,16,19,20)/p+1/t11-/m0/s1